smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc2[nH]ccc2c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)[nH+]1 ZINC001164843884 720697060 /nfs/dbraw/zinc/69/70/60/720697060.db2.gz RSEIONCNTPLJIZ-HXUWFJFHSA-N 2 0 390.531 4.131 20 0 GIADRP Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ccc(C[NH+]4CCCC4)cn2)C3)c1 ZINC001164995034 722207819 /nfs/dbraw/zinc/20/78/19/722207819.db2.gz KLZIBNYATVJCEO-DEOSSOPVSA-N 2 0 394.538 4.061 20 0 GIADRP Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ncccc2C[NH+]2CCCC2)C3)c1 ZINC001164997515 722212979 /nfs/dbraw/zinc/21/29/79/722212979.db2.gz RCWXBTSIJVFJKS-DEOSSOPVSA-N 2 0 394.538 4.061 20 0 GIADRP CC1CC[NH+](Cc2ccc(C[NH2+]C3CCN(CCC(F)(F)F)CC3)cc2)CC1 ZINC000570595878 823059443 /nfs/dbraw/zinc/05/94/43/823059443.db2.gz DKMRWJNRMIIRCG-UHFFFAOYSA-N 2 0 397.529 4.425 20 0 GIADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCc4ccc(SC)cc43)cn2)CC1 ZINC000570632351 823064777 /nfs/dbraw/zinc/06/47/77/823064777.db2.gz LFDMCIPZICNROK-JOCHJYFZSA-N 2 0 396.604 4.113 20 0 GIADRP C[C@H](C[NH2+][C@H](C)c1ccc(Oc2ccccc2)c(F)c1)CN1CC[NH+](C)CC1 ZINC000120832774 823073637 /nfs/dbraw/zinc/07/36/37/823073637.db2.gz QEQAZRMALDXXLS-RTBURBONSA-N 2 0 385.527 4.152 20 0 GIADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000120917479 823086367 /nfs/dbraw/zinc/08/63/67/823086367.db2.gz ZTKZKFLDAFFEDZ-UHFFFAOYSA-N 2 0 391.563 4.067 20 0 GIADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000175992477 823090535 /nfs/dbraw/zinc/09/05/35/823090535.db2.gz WREQQAOUDSJQHR-IBGZPJMESA-N 2 0 397.563 4.223 20 0 GIADRP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000570861016 823097682 /nfs/dbraw/zinc/09/76/82/823097682.db2.gz KMCFFGZQXACAAA-JOCHJYFZSA-N 2 0 377.532 4.051 20 0 GIADRP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000570861019 823097834 /nfs/dbraw/zinc/09/78/34/823097834.db2.gz KMCFFGZQXACAAA-QFIPXVFZSA-N 2 0 377.532 4.051 20 0 GIADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccc(-n2cncn2)cc1 ZINC000121084567 823115495 /nfs/dbraw/zinc/11/54/95/823115495.db2.gz VHBJKJIXQHVJKQ-HXUWFJFHSA-N 2 0 389.547 4.350 20 0 GIADRP C[NH2+]CCC1CC[NH+](Cc2cn(C(C)(C)C)nc2-c2cccc(OC)c2)CC1 ZINC000571046204 823125003 /nfs/dbraw/zinc/12/50/03/823125003.db2.gz APYGVGNMDWEEPL-UHFFFAOYSA-N 2 0 384.568 4.135 20 0 GIADRP C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000121225493 823142158 /nfs/dbraw/zinc/14/21/58/823142158.db2.gz TZNCJEDZZWGSQP-AUSIDOKSSA-N 2 0 394.563 4.265 20 0 GIADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cccc(C(=O)NCc3ccco3)c2)CC1 ZINC000056495160 823159215 /nfs/dbraw/zinc/15/92/15/823159215.db2.gz ITMOEWUZCYRYHL-UHFFFAOYSA-N 2 0 397.563 4.154 20 0 GIADRP C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000187970200 823165695 /nfs/dbraw/zinc/16/56/95/823165695.db2.gz SJIXWSPEAWLBOA-ILBGXUMGSA-N 2 0 378.560 4.243 20 0 GIADRP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000571427863 823181212 /nfs/dbraw/zinc/18/12/12/823181212.db2.gz PYXWPAQAQUQOID-ZKMPZPQNSA-N 2 0 394.607 4.250 20 0 GIADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459431447 823190903 /nfs/dbraw/zinc/19/09/03/823190903.db2.gz RDTKRCBAINXYLE-LJQANCHMSA-N 2 0 381.568 4.270 20 0 GIADRP Clc1ccc([C@@H]2CCCCC[C@H]2[NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)cc1 ZINC000571633876 823212556 /nfs/dbraw/zinc/21/25/56/823212556.db2.gz DIZPRIQSQDXIRB-RBUKOAKNSA-N 2 0 387.959 4.131 20 0 GIADRP CC(C)(C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)C[NH+]1CCCC1 ZINC000459537748 823215144 /nfs/dbraw/zinc/21/51/44/823215144.db2.gz ZXJDMFLBCUVOKN-UHFFFAOYSA-N 2 0 381.568 4.272 20 0 GIADRP COCc1cc(CN[C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1 ZINC000459548188 823217613 /nfs/dbraw/zinc/21/76/13/823217613.db2.gz UTAWQAWVRBOECH-PCNOZBDPSA-N 2 0 389.927 4.178 20 0 GIADRP c1c(C[NH2+]CCCCC[NH+]2CCCC2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459597877 823227112 /nfs/dbraw/zinc/22/71/12/823227112.db2.gz WCTLHXWKQZOEHH-UHFFFAOYSA-N 2 0 381.568 4.416 20 0 GIADRP CC[NH+](CC)Cc1cccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000057156018 823256671 /nfs/dbraw/zinc/25/66/71/823256671.db2.gz KBAWSMDGYNXRIF-UHFFFAOYSA-N 2 0 379.548 4.379 20 0 GIADRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)CC1 ZINC000121824408 823258380 /nfs/dbraw/zinc/25/83/80/823258380.db2.gz JLJDQEVATWHYSH-GOSISDBHSA-N 2 0 392.609 4.176 20 0 GIADRP COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)c2ncc(-c3ccccc3)o2)CC1 ZINC000122075888 823302415 /nfs/dbraw/zinc/30/24/15/823302415.db2.gz FKQVKZCBCFRVMR-IBGZPJMESA-N 2 0 385.552 4.473 20 0 GIADRP O=C(CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1)Nc1ccc(Cl)cc1F ZINC000057889817 823345642 /nfs/dbraw/zinc/34/56/42/823345642.db2.gz PUOZUOYEZGQZOD-UHFFFAOYSA-N 2 0 395.950 4.396 20 0 GIADRP C[C@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000122440210 823354513 /nfs/dbraw/zinc/35/45/13/823354513.db2.gz WFUXHGRQZNJOML-SFHVURJKSA-N 2 0 395.547 4.216 20 0 GIADRP C[NH+]1CCC(N2CCC([NH2+]Cc3cc(Cl)cc(C(F)(F)F)c3)CC2)CC1 ZINC000189104571 823358307 /nfs/dbraw/zinc/35/83/07/823358307.db2.gz XTFUKYVVIQYYBY-UHFFFAOYSA-N 2 0 389.893 4.007 20 0 GIADRP C(CCC[NH+]1CCC([C@@H]2CCCO2)CC1)CC[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189163486 823368570 /nfs/dbraw/zinc/36/85/70/823368570.db2.gz OPGZFLJXOHSXRC-ZEQRLZLVSA-N 2 0 392.628 4.329 20 0 GIADRP CSC1(C[NH2+][C@@H](C)c2ccc(F)c(Br)c2)CC[NH+](C)CC1 ZINC000572686642 823382850 /nfs/dbraw/zinc/38/28/50/823382850.db2.gz VEXKFWJUCSQYKP-LBPRGKRZSA-N 2 0 375.351 4.066 20 0 GIADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000189273087 823384629 /nfs/dbraw/zinc/38/46/29/823384629.db2.gz CAXQVBLCMUMBPL-URXFXBBRSA-N 2 0 378.560 4.144 20 0 GIADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc(Br)cc1 ZINC000177226633 823404483 /nfs/dbraw/zinc/40/44/83/823404483.db2.gz UWRUYXZZBHINNZ-HNNXBMFYSA-N 2 0 377.326 4.240 20 0 GIADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccc(Cl)cc1 ZINC000025702379 820016128 /nfs/dbraw/zinc/01/61/28/820016128.db2.gz ZTJSATMKPBBKNC-QGZVFWFLSA-N 2 0 385.939 4.443 20 0 GIADRP COc1cc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cc(OC)c1OC ZINC000123022995 823449426 /nfs/dbraw/zinc/44/94/26/823449426.db2.gz WLSGYYHCAKHVQS-KRWDZBQOSA-N 2 0 384.520 4.159 20 0 GIADRP COc1ccc2oc(C[NH2+]Cc3ccc(C[NH+]4C[C@H](C)O[C@@H](C)C4)cc3)cc2c1 ZINC000123060782 823455386 /nfs/dbraw/zinc/45/53/86/823455386.db2.gz RNZYIEORHJMHFM-ROUUACIJSA-N 2 0 394.515 4.340 20 0 GIADRP O=C(Nc1cccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1)c1ccc(Cl)cc1 ZINC000030907178 820706622 /nfs/dbraw/zinc/70/66/22/820706622.db2.gz MADBJECDMIGEKN-QGZVFWFLSA-N 2 0 383.923 4.166 20 0 GIADRP O=C(Nc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1)c1ccccc1Cl ZINC000030907101 820707076 /nfs/dbraw/zinc/70/70/76/820707076.db2.gz PMQOLDUXWCEFDQ-KRWDZBQOSA-N 2 0 383.923 4.166 20 0 GIADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000189950102 823517203 /nfs/dbraw/zinc/51/72/03/823517203.db2.gz DWOMLXJLAQYHHI-WOJBJXKFSA-N 2 0 399.623 4.017 20 0 GIADRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cccc(-c2ccccc2)c1 ZINC000177825600 823531684 /nfs/dbraw/zinc/53/16/84/823531684.db2.gz HLZNZMCGSBZEIB-FQEVSTJZSA-N 2 0 386.543 4.351 20 0 GIADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(C(F)(F)F)cc1 ZINC000180640450 821378638 /nfs/dbraw/zinc/37/86/38/821378638.db2.gz KCMBSDLSABLQJB-YWZLYKJASA-N 2 0 378.438 4.123 20 0 GIADRP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c2ccccc21 ZINC000180976258 821568359 /nfs/dbraw/zinc/56/83/59/821568359.db2.gz DYNGIMWRIZRUGC-YADARESESA-N 2 0 391.559 4.240 20 0 GIADRP C[C@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c2ccccc21 ZINC000180976220 821568523 /nfs/dbraw/zinc/56/85/23/821568523.db2.gz DYNGIMWRIZRUGC-CYFREDJKSA-N 2 0 391.559 4.240 20 0 GIADRP CC(C)Sc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000180996533 821582299 /nfs/dbraw/zinc/58/22/99/821582299.db2.gz RBQNORJCNRBTFJ-GOSISDBHSA-N 2 0 399.604 4.329 20 0 GIADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCc3nc(-c4ccccn4)cs3)CC2)C1 ZINC000181012276 821592839 /nfs/dbraw/zinc/59/28/39/821592839.db2.gz HBPUOORNXZGPFD-MJGOQNOKSA-N 2 0 384.593 4.380 20 0 GIADRP Cc1cc2ncc([C@@H](C)[NH2+]Cc3ccc(C[NH+]4CCC(C)CC4)cc3)c(C)n2n1 ZINC000181193432 821689123 /nfs/dbraw/zinc/68/91/23/821689123.db2.gz BNSVUMDUBYHUIH-LJQANCHMSA-N 2 0 391.563 4.429 20 0 GIADRP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000181412971 821812418 /nfs/dbraw/zinc/81/24/18/821812418.db2.gz GXVRYYNACCCZGJ-SMOSDQRPSA-N 2 0 387.593 4.146 20 0 GIADRP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000181412990 821812453 /nfs/dbraw/zinc/81/24/53/821812453.db2.gz GXVRYYNACCCZGJ-FIYPYCPBSA-N 2 0 387.593 4.146 20 0 GIADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(SCC(F)F)cc1 ZINC000181417799 821815734 /nfs/dbraw/zinc/81/57/34/821815734.db2.gz JWCLATXYTACDGJ-YSSFQJQWSA-N 2 0 398.563 4.462 20 0 GIADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(SCC(F)F)cc1 ZINC000181417761 821815889 /nfs/dbraw/zinc/81/58/89/821815889.db2.gz JWCLATXYTACDGJ-BEVDRBHNSA-N 2 0 398.563 4.462 20 0 GIADRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cc2cc(Cl)ccc2o1 ZINC000181516351 821863051 /nfs/dbraw/zinc/86/30/51/821863051.db2.gz KJMYNMAIDKJINC-HNNXBMFYSA-N 2 0 384.911 4.084 20 0 GIADRP CC(=O)Nc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000182075956 822083486 /nfs/dbraw/zinc/08/34/86/822083486.db2.gz VWPYWUDYUNXUCN-VVRXKDFOSA-N 2 0 377.532 4.491 20 0 GIADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000182131413 822109258 /nfs/dbraw/zinc/10/92/58/822109258.db2.gz JCNOIGZBQCAHBY-SZPZYZBQSA-N 2 0 399.623 4.163 20 0 GIADRP CCC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(OC)cc1 ZINC000182237770 822161270 /nfs/dbraw/zinc/16/12/70/822161270.db2.gz ZBQSIKVASWOWRS-ISKFKSNPSA-N 2 0 382.548 4.283 20 0 GIADRP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000182267173 822179150 /nfs/dbraw/zinc/17/91/50/822179150.db2.gz FLHKRUACNXWQAY-XUZZJYLKSA-N 2 0 394.559 4.380 20 0 GIADRP c1ccc([C@@H]([NH2+]CC2(C[NH2+][C@H](c3ccccc3)C3CC3)COC2)C2CC2)cc1 ZINC000182458210 822250069 /nfs/dbraw/zinc/25/00/69/822250069.db2.gz QJSWLUPISGEMRD-DNQXCXABSA-N 2 0 376.544 4.485 20 0 GIADRP COc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccccc2F)cc1C[NH+]1CCCCC1 ZINC000182536969 822288692 /nfs/dbraw/zinc/28/86/92/822288692.db2.gz XJVCLEMDGFAPMM-JTSKRJEESA-N 2 0 386.511 4.204 20 0 GIADRP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000178038314 822293396 /nfs/dbraw/zinc/29/33/96/822293396.db2.gz ISPFUIYNMQIZTK-ZACQAIPSSA-N 2 0 388.581 4.054 20 0 GIADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3ccc4ccccc4n3)cc2)CC1 ZINC000178132925 822328373 /nfs/dbraw/zinc/32/83/73/822328373.db2.gz VZIIKMKZHCQFOY-HXUWFJFHSA-N 2 0 388.559 4.223 20 0 GIADRP Cc1ccsc1[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(Cl)cc1F ZINC000182639374 822334655 /nfs/dbraw/zinc/33/46/55/822334655.db2.gz ZNQSPEZCGZSDHG-LJQANCHMSA-N 2 0 396.959 4.232 20 0 GIADRP CC[NH+](CC)CCCC1CC[NH+](Cc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000182746974 822361600 /nfs/dbraw/zinc/36/16/00/822361600.db2.gz XUAJDBMXGMEGHB-UHFFFAOYSA-N 2 0 385.596 4.257 20 0 GIADRP COCCC[NH+]1CCC([NH2+][C@@H]2CCCc3cc(SC(F)F)ccc32)CC1 ZINC000182770902 822365227 /nfs/dbraw/zinc/36/52/27/822365227.db2.gz RQLGSAMVFBLOPL-LJQANCHMSA-N 2 0 384.536 4.469 20 0 GIADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCCc2cc(SC(F)F)ccc21 ZINC000182934640 822395513 /nfs/dbraw/zinc/39/55/13/822395513.db2.gz RMPXKYFADQWCAY-APWZRJJASA-N 2 0 384.536 4.205 20 0 GIADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC000182934660 822395783 /nfs/dbraw/zinc/39/57/83/822395783.db2.gz RMPXKYFADQWCAY-VQIMIIECSA-N 2 0 384.536 4.205 20 0 GIADRP C[C@@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182950186 822398512 /nfs/dbraw/zinc/39/85/12/822398512.db2.gz NHXRCFGPKFNBBG-IBGZPJMESA-N 2 0 383.536 4.227 20 0 GIADRP COc1ccc([C@H](C)[NH2+]C[C@](C)(O)c2cccs2)cc1C[NH+]1CCCCC1 ZINC000183006511 822410046 /nfs/dbraw/zinc/41/00/46/822410046.db2.gz OHJNGXMSNFPMNH-JTSKRJEESA-N 2 0 388.577 4.301 20 0 GIADRP CC(C)[NH+]1CCC([NH2+]C2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000183171381 822435276 /nfs/dbraw/zinc/43/52/76/822435276.db2.gz KKYVWCLSHWJPKB-UHFFFAOYSA-N 2 0 384.395 4.420 20 0 GIADRP C[C@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183197093 822439805 /nfs/dbraw/zinc/43/98/05/822439805.db2.gz DFJCVRUEMHKYSK-YXWAVELNSA-N 2 0 379.589 4.065 20 0 GIADRP C[C@H](c1nc(-c2ccccc2)no1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179388530 822475565 /nfs/dbraw/zinc/47/55/65/822475565.db2.gz RWGDNULKCKVYOW-GOSISDBHSA-N 2 0 391.519 4.431 20 0 GIADRP Cc1ccc(NC(=O)[C@H](C)[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000179393301 822476361 /nfs/dbraw/zinc/47/63/61/822476361.db2.gz DGXZCQDPIZKVNW-SFHVURJKSA-N 2 0 398.526 4.095 20 0 GIADRP COc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1F ZINC000179410498 822478935 /nfs/dbraw/zinc/47/89/35/822478935.db2.gz LODWQMFWMOCKOX-KSZLIROESA-N 2 0 386.511 4.294 20 0 GIADRP C[C@@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)c1ccc(OCC[NH+](C)C)cc1 ZINC000179455974 822485640 /nfs/dbraw/zinc/48/56/40/822485640.db2.gz DNWQMLIFPHGHGH-QGZVFWFLSA-N 2 0 397.494 4.314 20 0 GIADRP C[C@H](C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)c1nc(-c2ccccc2)no1 ZINC000179478241 822488324 /nfs/dbraw/zinc/48/83/24/822488324.db2.gz XYTASZKIGUYRTH-QZTJIDSGSA-N 2 0 394.519 4.131 20 0 GIADRP CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000183993655 822559872 /nfs/dbraw/zinc/55/98/72/822559872.db2.gz LPYGSXUWDYQWKW-QHAWAJNXSA-N 2 0 391.600 4.019 20 0 GIADRP CCC[NH+]1CCC([N@H+](C)Cc2ccc(Br)c3cccnc23)CC1 ZINC000179948845 822583801 /nfs/dbraw/zinc/58/38/01/822583801.db2.gz FULFKOQBAPCRBI-UHFFFAOYSA-N 2 0 376.342 4.304 20 0 GIADRP Cc1ccc([C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C2CC2)cc1 ZINC000180179526 822633516 /nfs/dbraw/zinc/63/35/16/822633516.db2.gz TZHHCVXPJDFHOT-XMMPIXPASA-N 2 0 391.559 4.062 20 0 GIADRP CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000184557793 822656935 /nfs/dbraw/zinc/65/69/35/822656935.db2.gz STWFOKLBJOCSMM-RPWUZVMVSA-N 2 0 378.560 4.315 20 0 GIADRP Cn1cc([C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)c2cccc(F)c2)cn1 ZINC000180335568 822665387 /nfs/dbraw/zinc/66/53/87/822665387.db2.gz BKKLOTRVEZMJMA-QFIPXVFZSA-N 2 0 398.551 4.212 20 0 GIADRP Cn1cc([C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)c2cccc(F)c2)cn1 ZINC000180335554 822665434 /nfs/dbraw/zinc/66/54/34/822665434.db2.gz BKKLOTRVEZMJMA-JOCHJYFZSA-N 2 0 398.551 4.212 20 0 GIADRP CCC(CC)[C@@H]1C[C@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000180374883 822671828 /nfs/dbraw/zinc/67/18/28/822671828.db2.gz CFKBUMBIEAVTTH-QPPBQGQZSA-N 2 0 387.612 4.290 20 0 GIADRP C[C@@H]1[C@H](NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000455835287 822733916 /nfs/dbraw/zinc/73/39/16/822733916.db2.gz ACFMCGUMDHSOIZ-NLSFWIRASA-N 2 0 392.547 4.020 20 0 GIADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cc(Br)ccc2O)c1 ZINC000185352153 822769766 /nfs/dbraw/zinc/76/97/66/822769766.db2.gz JMJZMEYFKUACMW-AWEZNQCLSA-N 2 0 377.326 4.457 20 0 GIADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000174868910 822848868 /nfs/dbraw/zinc/84/88/68/822848868.db2.gz URSUYPBPEVKLJR-QFIPXVFZSA-N 2 0 394.563 4.124 20 0 GIADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000569127928 822882129 /nfs/dbraw/zinc/88/21/29/822882129.db2.gz JESQGKDNRIIOQE-GOSISDBHSA-N 2 0 387.518 4.310 20 0 GIADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000175197619 822902006 /nfs/dbraw/zinc/90/20/06/822902006.db2.gz BMJURLFZRKVVBQ-UHFFFAOYSA-N 2 0 377.488 4.343 20 0 GIADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CCc2nn(C)c3ccccc23)ccc1OC ZINC000186484513 822902955 /nfs/dbraw/zinc/90/29/55/822902955.db2.gz NXFIRQABGURUNE-GOSISDBHSA-N 2 0 394.563 4.317 20 0 GIADRP C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000186518060 822907361 /nfs/dbraw/zinc/90/73/61/822907361.db2.gz GHXNIPUIXJFTMR-QLFBSQMISA-N 2 0 381.358 4.458 20 0 GIADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1Cl ZINC000186590035 822918652 /nfs/dbraw/zinc/91/86/52/822918652.db2.gz HWDRULQTFGKYLC-QWHCGFSZSA-N 2 0 378.775 4.323 20 0 GIADRP Cc1cc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)ccc1C[NH+](C)C ZINC000458274366 822976933 /nfs/dbraw/zinc/97/69/33/822976933.db2.gz XGGFBIMCEOLDGC-UHFFFAOYSA-N 2 0 379.548 4.297 20 0 GIADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]Cc1ccccc1Cn1ccnc1)CCC2 ZINC000570192848 823013783 /nfs/dbraw/zinc/01/37/83/823013783.db2.gz NNIRBSYRDQZCKA-LJQANCHMSA-N 2 0 393.487 4.177 20 0 GIADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000570406344 823033856 /nfs/dbraw/zinc/03/38/56/823033856.db2.gz UYUCKSWBEMRRRC-QFIPXVFZSA-N 2 0 392.547 4.369 20 0 GIADRP CC[N@H+](C)Cc1cccc(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)c1 ZINC000123884731 823549213 /nfs/dbraw/zinc/54/92/13/823549213.db2.gz IWTMISRJBZCEGN-UHFFFAOYSA-N 2 0 399.966 4.186 20 0 GIADRP C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)C1 ZINC000411172909 823554382 /nfs/dbraw/zinc/55/43/82/823554382.db2.gz KDUKIAFSCYYUDH-OAQYLSRUSA-N 2 0 397.607 4.143 20 0 GIADRP O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000411194980 823556237 /nfs/dbraw/zinc/55/62/37/823556237.db2.gz AJWDRSRPQAQRFW-UHFFFAOYSA-N 2 0 391.559 4.021 20 0 GIADRP CCCCCC(=O)NC1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411217884 823557943 /nfs/dbraw/zinc/55/79/43/823557943.db2.gz HOJWISZLEDSANX-UHFFFAOYSA-N 2 0 385.596 4.333 20 0 GIADRP c1ccn2c(c1)nnc2[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411301694 823563208 /nfs/dbraw/zinc/56/32/08/823563208.db2.gz ZKXNTHNJKPACTE-JOCHJYFZSA-N 2 0 389.547 4.095 20 0 GIADRP c1cc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)ccc1C[NH+]1CCCCC1 ZINC000411304483 823563600 /nfs/dbraw/zinc/56/36/00/823563600.db2.gz BVPVFGNZEXKZQV-XMMPIXPASA-N 2 0 386.580 4.223 20 0 GIADRP Clc1ccccc1COc1cccc(C[NH2+]CCCC[NH+]2CCOCC2)c1 ZINC000060979434 823571063 /nfs/dbraw/zinc/57/10/63/823571063.db2.gz MGTALRMIKYGENS-UHFFFAOYSA-N 2 0 388.939 4.121 20 0 GIADRP COc1cc(C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)cc2c1OCO2 ZINC000061000054 823571955 /nfs/dbraw/zinc/57/19/55/823571955.db2.gz XFHRCMHFMANINU-ROUUACIJSA-N 2 0 396.531 4.192 20 0 GIADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cccc(Br)c2)cc1 ZINC000061051991 823575524 /nfs/dbraw/zinc/57/55/24/823575524.db2.gz QJJKYRXECUCRKQ-UHFFFAOYSA-N 2 0 391.353 4.460 20 0 GIADRP CC[C@H](C)[C@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1ccc(Cl)cc1 ZINC000411469075 823578567 /nfs/dbraw/zinc/57/85/67/823578567.db2.gz FMDOTQPCUUNTBI-KKSFZXQISA-N 2 0 379.976 4.006 20 0 GIADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Br)c(Br)c2)C1 ZINC000124545837 823605313 /nfs/dbraw/zinc/60/53/13/823605313.db2.gz CWSUMCMMOHZPBT-ZDUSSCGKSA-N 2 0 390.163 4.032 20 0 GIADRP CCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)s1 ZINC000124574473 823607616 /nfs/dbraw/zinc/60/76/16/823607616.db2.gz CPFHOTLFPLUEKF-BBWFWOEESA-N 2 0 387.593 4.474 20 0 GIADRP COc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c(OC)c1 ZINC000124640094 823613264 /nfs/dbraw/zinc/61/32/64/823613264.db2.gz GGFLXUCEOPKZAZ-FHWLQOOXSA-N 2 0 398.547 4.164 20 0 GIADRP C[C@H]([NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)c1ccc([S@](C)=O)cc1 ZINC000124711472 823619712 /nfs/dbraw/zinc/61/97/12/823619712.db2.gz JVBIPDUCZIEVJM-DDJZOOQRSA-N 2 0 384.589 4.231 20 0 GIADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)c3cnn(C(C)C)c3C)CC2)cc1 ZINC000191238274 823662197 /nfs/dbraw/zinc/66/21/97/823662197.db2.gz KCTFIYHCTXQCAY-GOSISDBHSA-N 2 0 384.568 4.344 20 0 GIADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000125491036 823680611 /nfs/dbraw/zinc/68/06/11/823680611.db2.gz LAUYFKJULCCWQO-CPJLOUKISA-N 2 0 376.591 4.048 20 0 GIADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H]2c2cccc(Br)c2)CC1 ZINC000191456038 823687165 /nfs/dbraw/zinc/68/71/65/823687165.db2.gz SSKBJTYEVNBKAE-HXUWFJFHSA-N 2 0 394.401 4.002 20 0 GIADRP Cc1ccc(C[N@H+](CCCN2CC[NH+](C(C)C)CC2)Cc2ccco2)s1 ZINC000191462697 823687969 /nfs/dbraw/zinc/68/79/69/823687969.db2.gz YMAGQBPSILNZAN-UHFFFAOYSA-N 2 0 375.582 4.068 20 0 GIADRP CCCOc1ccc(Oc2ncccc2C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000163389856 823705757 /nfs/dbraw/zinc/70/57/57/823705757.db2.gz ZPUDFXZVXWNSOU-GOSISDBHSA-N 2 0 383.536 4.483 20 0 GIADRP Cc1c2ccccc2oc1[C@H](C)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000163506953 823716342 /nfs/dbraw/zinc/71/63/42/823716342.db2.gz DZFVYTTXPQXTIF-KRWDZBQOSA-N 2 0 385.552 4.019 20 0 GIADRP COc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1OCc1ccccc1 ZINC000574486444 823744941 /nfs/dbraw/zinc/74/49/41/823744941.db2.gz FXUCBGCTLNKLHP-FCHUYYIVSA-N 2 0 380.532 4.190 20 0 GIADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000164012062 823770291 /nfs/dbraw/zinc/77/02/91/823770291.db2.gz UYECRGMWXBZANJ-OAQYLSRUSA-N 3 0 395.591 4.464 20 0 GIADRP CCCC[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000164452459 823803588 /nfs/dbraw/zinc/80/35/88/823803588.db2.gz QSDOVMRSLOGHKZ-HNNXBMFYSA-N 2 0 385.474 4.277 20 0 GIADRP COc1ccc([C@H](C[NH+](C)C)N[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000574877612 823849742 /nfs/dbraw/zinc/84/97/42/823849742.db2.gz QPMFPIIMVHZEEQ-UPVQGACJSA-N 2 0 393.575 4.085 20 0 GIADRP C[C@H](C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)[C@@H]([NH3+])c1ccccc1 ZINC000166415667 823877516 /nfs/dbraw/zinc/87/75/16/823877516.db2.gz XBKLPSPHODRXMY-WMZHIEFXSA-N 2 0 379.548 4.015 20 0 GIADRP COc1ccc(C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc2)cc1OC ZINC000166469811 823878348 /nfs/dbraw/zinc/87/83/48/823878348.db2.gz ADDXALFKXKPFLU-VSKRKVRLSA-N 2 0 380.532 4.204 20 0 GIADRP Cc1nc(C)c([C@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000575007653 823885787 /nfs/dbraw/zinc/88/57/87/823885787.db2.gz JILZHXVVYKZISQ-UWJYYQICSA-N 2 0 399.604 4.339 20 0 GIADRP C[C@@H]([NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C1CC[NH+](C)CC1 ZINC000167905548 823898355 /nfs/dbraw/zinc/89/83/55/823898355.db2.gz KQHFHCFINDGSFU-OAHLLOKOSA-N 2 0 384.395 4.278 20 0 GIADRP C[C@@H]([NH2+][C@@H](C)c1cc(F)c(F)c(F)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000126705387 823931391 /nfs/dbraw/zinc/93/13/91/823931391.db2.gz CGYOFEOGPWLCBJ-UONOGXRCSA-N 2 0 395.444 4.407 20 0 GIADRP C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccnc(Cl)c1 ZINC000126719325 823935250 /nfs/dbraw/zinc/93/52/50/823935250.db2.gz ZSWHRQJMAMCCBC-HUUCEWRRSA-N 2 0 376.907 4.038 20 0 GIADRP Fc1ccc(N2CC[C@H]([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)cc1 ZINC000414342630 823961982 /nfs/dbraw/zinc/96/19/82/823961982.db2.gz ITUBULANWGMBDZ-ZQRMPTRQSA-N 2 0 379.523 4.190 20 0 GIADRP CC[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccc(C(=O)OC)cc1 ZINC000575436569 823971374 /nfs/dbraw/zinc/97/13/74/823971374.db2.gz PMRWZXLEVFIKCK-QHCPKHFHSA-N 2 0 396.531 4.187 20 0 GIADRP Cc1ccc(C)c(C[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c1 ZINC000170823702 823980361 /nfs/dbraw/zinc/98/03/61/823980361.db2.gz FUFQEOSDWOISGW-UHFFFAOYSA-N 2 0 382.548 4.083 20 0 GIADRP Oc1ccc(C2CCC([NH2+]CC3(O)CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000414524145 824001661 /nfs/dbraw/zinc/00/16/61/824001661.db2.gz JLCOBIFXUBMERO-UHFFFAOYSA-N 2 0 394.559 4.035 20 0 GIADRP C[NH+]1CCC(N2CCC([NH2+]CCCCc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000192522197 824019107 /nfs/dbraw/zinc/01/91/07/824019107.db2.gz OWPOOTTXBJXCMK-UHFFFAOYSA-N 2 0 397.529 4.176 20 0 GIADRP C[N@H+](Cc1ccccc1NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)C1CCCCC1 ZINC000414703009 824025020 /nfs/dbraw/zinc/02/50/20/824025020.db2.gz BSEHXDLGIBGOMM-IOMROCGXSA-N 2 0 384.568 4.042 20 0 GIADRP C[N@H+](Cc1ccccc1NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)C1CCCCC1 ZINC000414703011 824025067 /nfs/dbraw/zinc/02/50/67/824025067.db2.gz BSEHXDLGIBGOMM-YYWHXJBOSA-N 2 0 384.568 4.042 20 0 GIADRP C[C@@H]1C[C@H](C[NH+]2CCC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)CC[NH2+]1 ZINC000414749272 824032805 /nfs/dbraw/zinc/03/28/05/824032805.db2.gz XYPPNYWOJGWJLT-ZIAGYGMSSA-N 2 0 384.351 4.032 20 0 GIADRP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000414815086 824038586 /nfs/dbraw/zinc/03/85/86/824038586.db2.gz WSLAAKHLBWNEJQ-CQSZACIVSA-N 2 0 399.336 4.253 20 0 GIADRP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000414815323 824039284 /nfs/dbraw/zinc/03/92/84/824039284.db2.gz PCMZZMHSJVLCDA-HNNXBMFYSA-N 2 0 388.437 4.260 20 0 GIADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000414819840 824039508 /nfs/dbraw/zinc/03/95/08/824039508.db2.gz ZUIGHKVNKAXVPT-KBPBESRZSA-N 2 0 395.425 4.112 20 0 GIADRP CC[N@@H+]1CCCC[C@H]1c1ccc(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)nc1 ZINC001164413132 718881749 /nfs/dbraw/zinc/88/17/49/718881749.db2.gz CDPBXKRMFXFWKH-ROUUACIJSA-N 2 0 396.501 4.282 20 0 GIADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)nc1 ZINC001164427575 718946782 /nfs/dbraw/zinc/94/67/82/718946782.db2.gz FQFSTEJCZVVWOT-YTFSRNRJSA-N 2 0 376.548 4.094 20 0 GIADRP c1cc(-c2ccc3c(C4CN(c5ccc(C[NH+]6CCCC6)cn5)C4)[nH+]cn3c2)co1 ZINC001165016797 721767943 /nfs/dbraw/zinc/76/79/43/721767943.db2.gz YLJXHLXTTWGOCG-UHFFFAOYSA-N 2 0 399.498 4.189 20 0 GIADRP C[N@H+](Cc1ccc(N2CC(c3[nH+]cn4cc(-c5ccoc5)ccc34)C2)nc1)C1CC1 ZINC001165014150 721768042 /nfs/dbraw/zinc/76/80/42/721768042.db2.gz DRQKDHALVTTWIJ-UHFFFAOYSA-N 2 0 399.498 4.187 20 0 GIADRP Cc1cc2[nH]ccc2c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]1 ZINC001165021591 721815525 /nfs/dbraw/zinc/81/55/25/721815525.db2.gz FBCCNKICEGEXNB-UCNVEGJOSA-N 2 0 375.520 4.003 20 0 GIADRP Cc1[nH+]c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc2[nH]ccc21 ZINC001165026771 721821318 /nfs/dbraw/zinc/82/13/18/721821318.db2.gz QEPLTZAUTKVIKN-RBDMOPTHSA-N 2 0 375.520 4.003 20 0 GIADRP COc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(-c2ccccc2)cc1OC ZINC000570515643 823048761 /nfs/dbraw/zinc/04/87/61/823048761.db2.gz MEXZRRDKKAHFTK-VQTJNVASSA-N 2 0 380.532 4.192 20 0 GIADRP NC1(C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CC[NH+](Cc2ccccc2)CC1 ZINC000570624630 823064128 /nfs/dbraw/zinc/06/41/28/823064128.db2.gz RAZDHRDDSOKLDP-QHCPKHFHSA-N 2 0 388.559 4.128 20 0 GIADRP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)ccc1OCc1ccncc1 ZINC000120857924 823078262 /nfs/dbraw/zinc/07/82/62/823078262.db2.gz HOUHTCRPHFBQSY-JOCHJYFZSA-N 2 0 397.563 4.127 20 0 GIADRP CC(C)(C(=O)NCc1ccccc1C[NH+]1CCCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000570838826 823093992 /nfs/dbraw/zinc/09/39/92/823093992.db2.gz ZCHZKAKOSIGHDG-QFIPXVFZSA-N 2 0 379.548 4.015 20 0 GIADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)C(=O)Nc2cccc3ncccc32)c1 ZINC000056184739 823098110 /nfs/dbraw/zinc/09/81/10/823098110.db2.gz JFPYGRHLRDHBPB-GOSISDBHSA-N 2 0 390.531 4.193 20 0 GIADRP CCC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccsc1 ZINC000187710674 823117857 /nfs/dbraw/zinc/11/78/57/823117857.db2.gz SFTQQTXXQUCVJW-PZJWPPBQSA-N 2 0 385.577 4.076 20 0 GIADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCCSc3ccc(Cl)cc32)CC1 ZINC000121293660 823156869 /nfs/dbraw/zinc/15/68/69/823156869.db2.gz KJVRCHAHZIEWRE-QFBILLFUSA-N 2 0 382.017 4.130 20 0 GIADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000121304175 823159216 /nfs/dbraw/zinc/15/92/16/823159216.db2.gz FNQBYDOXCFMXOU-ZIAGYGMSSA-N 2 0 376.347 4.057 20 0 GIADRP c1cc(N2CCC([NH2+]Cc3ccc(C[NH+]4CCCCCC4)cc3)CC2)cc[nH+]1 ZINC000459394575 823182138 /nfs/dbraw/zinc/18/21/38/823182138.db2.gz XLFBYTLQXXBHTM-UHFFFAOYSA-N 3 0 378.564 4.216 20 0 GIADRP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459425256 823189931 /nfs/dbraw/zinc/18/99/31/823189931.db2.gz BGFBNQNAQLPKGK-CQSZACIVSA-N 2 0 392.316 4.173 20 0 GIADRP Brc1ccccc1C1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000459443912 823193318 /nfs/dbraw/zinc/19/33/18/823193318.db2.gz YQZGEWNISOKQQJ-UHFFFAOYSA-N 2 0 386.337 4.134 20 0 GIADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000571585377 823203961 /nfs/dbraw/zinc/20/39/61/823203961.db2.gz BGZNBMIWKGNFCZ-UHFFFAOYSA-N 2 0 379.264 4.289 20 0 GIADRP c1c(C[NH2+]CC2CC[NH+](C3CC3)CC2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459505829 823206332 /nfs/dbraw/zinc/20/63/32/823206332.db2.gz IDGNMFVNUJUQFB-UHFFFAOYSA-N 2 0 379.552 4.024 20 0 GIADRP Clc1ccc([C@H]2CCCCC[C@H]2[NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)cc1 ZINC000571633877 823212526 /nfs/dbraw/zinc/21/25/26/823212526.db2.gz DIZPRIQSQDXIRB-RTBURBONSA-N 2 0 387.959 4.131 20 0 GIADRP CCn1c(C)nnc1C[N@@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459528864 823212547 /nfs/dbraw/zinc/21/25/47/823212547.db2.gz RBKKWLMNGIAUCV-QHCPKHFHSA-N 2 0 395.595 4.263 20 0 GIADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000571903889 823251816 /nfs/dbraw/zinc/25/18/16/823251816.db2.gz GEARAJALBMETEV-CQSZACIVSA-N 2 0 382.335 4.050 20 0 GIADRP Fc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2N[C@@H]2CC[NH+]3CCC[C@@H]3C2)c1 ZINC000459729074 823257588 /nfs/dbraw/zinc/25/75/88/823257588.db2.gz GEZAUWAPAFMUJI-ZKGSSEMHSA-N 2 0 393.550 4.010 20 0 GIADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)CC1 ZINC000121824244 823258445 /nfs/dbraw/zinc/25/84/45/823258445.db2.gz JLJDQEVATWHYSH-SFHVURJKSA-N 2 0 392.609 4.176 20 0 GIADRP c1cn(-c2ccc(C[N@@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)cc2)cn1 ZINC000572265852 823309753 /nfs/dbraw/zinc/30/97/53/823309753.db2.gz SKNKDKFNMKRTJZ-UHFFFAOYSA-N 2 0 386.543 4.360 20 0 GIADRP Cc1cccc2c1OCC[C@H]2[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000188878538 823321921 /nfs/dbraw/zinc/32/19/21/823321921.db2.gz XXSGULXNBSNTQH-JOCHJYFZSA-N 2 0 379.548 4.139 20 0 GIADRP c1nc(C2CC2)c(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000572382858 823330419 /nfs/dbraw/zinc/33/04/19/823330419.db2.gz JLMKJECXUBOFAC-HXUWFJFHSA-N 2 0 397.588 4.039 20 0 GIADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)cc1 ZINC000189008801 823341382 /nfs/dbraw/zinc/34/13/82/823341382.db2.gz OERMNMORFPBJER-UHFFFAOYSA-N 2 0 380.511 4.202 20 0 GIADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000189008987 823341817 /nfs/dbraw/zinc/34/18/17/823341817.db2.gz GWELVIHWWLCBQC-UHFFFAOYSA-N 2 0 380.511 4.202 20 0 GIADRP CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000460352041 823361264 /nfs/dbraw/zinc/36/12/64/823361264.db2.gz UYGIHQOONBCXKM-WPYKKVEZSA-N 2 0 385.596 4.104 20 0 GIADRP C[C@H]([NH2+][C@H]1c2ccccc2CC12CCOCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000572652853 823376059 /nfs/dbraw/zinc/37/60/59/823376059.db2.gz PSEFIOHYHXSNDG-CYFREDJKSA-N 2 0 394.559 4.372 20 0 GIADRP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccc1OC(F)F ZINC000572671141 823379414 /nfs/dbraw/zinc/37/94/14/823379414.db2.gz ROXPQGCJGQDXPQ-APWZRJJASA-N 2 0 390.474 4.297 20 0 GIADRP C[C@H]([NH2+][C@@H](CCO)c1ccc(Cl)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000572671523 823379518 /nfs/dbraw/zinc/37/95/18/823379518.db2.gz IOFKNYXDFIQLFM-KKSFZXQISA-N 2 0 376.928 4.055 20 0 GIADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177238407 823407396 /nfs/dbraw/zinc/40/73/96/823407396.db2.gz LXWMTNQCPUXYDV-UHFFFAOYSA-N 2 0 383.536 4.021 20 0 GIADRP COc1cccc([C@H](C)[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c1 ZINC000177288220 823422408 /nfs/dbraw/zinc/42/24/08/823422408.db2.gz QYXIFFKWVNBEKN-IBGZPJMESA-N 2 0 398.547 4.036 20 0 GIADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000177356244 823443958 /nfs/dbraw/zinc/44/39/58/823443958.db2.gz LDQYKYKOISFQCK-HXUWFJFHSA-N 2 0 383.511 4.046 20 0 GIADRP CC[NH+](CC)Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000030889916 820702113 /nfs/dbraw/zinc/70/21/13/820702113.db2.gz XECSCJGSUKDPEU-UHFFFAOYSA-N 2 0 379.548 4.054 20 0 GIADRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(I)cc1 ZINC000123704341 823533375 /nfs/dbraw/zinc/53/33/75/823533375.db2.gz AHOHFRYWTHITEP-AWEZNQCLSA-N 2 0 394.300 4.204 20 0 GIADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(Cl)s1 ZINC000180974577 821566828 /nfs/dbraw/zinc/56/68/28/821566828.db2.gz VQTBQIMSSNGPEU-OAHLLOKOSA-N 2 0 391.968 4.078 20 0 GIADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cccc(Cl)c1 ZINC000180975783 821567642 /nfs/dbraw/zinc/56/76/42/821567642.db2.gz LZTABYHCHNIHDA-KRWDZBQOSA-N 2 0 385.939 4.016 20 0 GIADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc(Cl)c1Cl ZINC000180999593 821585038 /nfs/dbraw/zinc/58/50/38/821585038.db2.gz CIKWBOWLZDBRDJ-AWEZNQCLSA-N 2 0 394.346 4.136 20 0 GIADRP Cc1ccc([C@@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c2ccccc2)cc1 ZINC000181034635 821604033 /nfs/dbraw/zinc/60/40/33/821604033.db2.gz IUWJXQFKMYHMKV-DEOSSOPVSA-N 2 0 375.516 4.210 20 0 GIADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000044908087 821679584 /nfs/dbraw/zinc/67/95/84/821679584.db2.gz DNEBMXXJOAJSLR-UHFFFAOYSA-N 2 0 393.575 4.044 20 0 GIADRP Cc1cc2ncc([C@H](C)[NH2+]Cc3ccccc3C[N@@H+]3CCC[C@H](C)C3)c(C)n2n1 ZINC000181203004 821694939 /nfs/dbraw/zinc/69/49/39/821694939.db2.gz XDJCDTZIAULCJI-HKUYNNGSSA-N 2 0 391.563 4.429 20 0 GIADRP COC(=O)c1oc([C@H](C)[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC000181211507 821699434 /nfs/dbraw/zinc/69/94/34/821699434.db2.gz QZTPRLHXPYVGRV-KRWDZBQOSA-N 2 0 385.508 4.069 20 0 GIADRP C[C@H]([NH2+]Cc1ccccc1N1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000181265769 821724423 /nfs/dbraw/zinc/72/44/23/821724423.db2.gz JRDFNUXUVMZNAO-FQEVSTJZSA-N 2 0 381.564 4.468 20 0 GIADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000181518444 821864013 /nfs/dbraw/zinc/86/40/13/821864013.db2.gz NZNJFRFHTIYPDJ-IRXDYDNUSA-N 2 0 399.501 4.380 20 0 GIADRP COc1cccc2cc([C@H](C)[NH2+]Cc3ccc(C[NH+]4CCC(O)CC4)cc3)oc21 ZINC000181708119 821953224 /nfs/dbraw/zinc/95/32/24/821953224.db2.gz GICGMCXOHJVNMT-KRWDZBQOSA-N 2 0 394.515 4.249 20 0 GIADRP CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000181930621 822038926 /nfs/dbraw/zinc/03/89/26/822038926.db2.gz MYKRPGMOSHQRPG-QRVBRYPASA-N 2 0 395.547 4.105 20 0 GIADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cccc(OC(F)F)c1 ZINC000182249248 822167637 /nfs/dbraw/zinc/16/76/37/822167637.db2.gz CDQFEIJMJLMVML-OXJNMPFZSA-N 2 0 390.474 4.096 20 0 GIADRP CCc1c2ccccc2oc1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000182261662 822175127 /nfs/dbraw/zinc/17/51/27/822175127.db2.gz RFWPJVMEPXXPDO-PXNSSMCTSA-N 2 0 378.516 4.413 20 0 GIADRP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(OC(F)F)cc1 ZINC000182261494 822175421 /nfs/dbraw/zinc/17/54/21/822175421.db2.gz YOENWLRUJWHLFX-FPOVZHCZSA-N 2 0 390.474 4.096 20 0 GIADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(OC(F)(F)F)c1 ZINC000182264003 822177475 /nfs/dbraw/zinc/17/74/75/822177475.db2.gz IGMFTPOAFXUJBK-KXBFYZLASA-N 2 0 394.437 4.003 20 0 GIADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(Cl)c1Cl ZINC000182269335 822180687 /nfs/dbraw/zinc/18/06/87/822180687.db2.gz LMTFXENDFZALSA-PBHICJAKSA-N 2 0 379.331 4.411 20 0 GIADRP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)CC(=O)Nc2cccnc2Cl)c1 ZINC000177976625 822266014 /nfs/dbraw/zinc/26/60/14/822266014.db2.gz MHRJTUXZCHTCCD-MRXNPFEDSA-N 2 0 388.943 4.082 20 0 GIADRP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178038282 822293516 /nfs/dbraw/zinc/29/35/16/822293516.db2.gz ISPFUIYNMQIZTK-BBWFWOEESA-N 2 0 388.581 4.054 20 0 GIADRP Cc1nc(C)c([C@H](C)[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000178283892 822363114 /nfs/dbraw/zinc/36/31/14/822363114.db2.gz AOLFBOIFOOCWIR-KRWDZBQOSA-N 2 0 387.593 4.482 20 0 GIADRP CC(C)c1ccc(-c2ncc(C[N@H+](C)CCCN3CC[NH+](C)CC3)s2)cc1 ZINC000182951887 822398856 /nfs/dbraw/zinc/39/88/56/822398856.db2.gz LEOWSFQLPJLLCB-UHFFFAOYSA-N 2 0 386.609 4.003 20 0 GIADRP COc1cc(-c2ccccc2)ccc1C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000183057441 822418344 /nfs/dbraw/zinc/41/83/44/822418344.db2.gz RQYQPGKLSTULEJ-UHFFFAOYSA-N 2 0 393.575 4.010 20 0 GIADRP C[C@H]([NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183100644 822424517 /nfs/dbraw/zinc/42/45/17/822424517.db2.gz JEDABQCFPNBFPZ-ICSRJNTNSA-N 2 0 393.616 4.266 20 0 GIADRP C[C@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183101488 822424520 /nfs/dbraw/zinc/42/45/20/822424520.db2.gz DJMKOMBEJBSSBG-PZJWPPBQSA-N 2 0 379.548 4.403 20 0 GIADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(OCc2nccn2C)cc1 ZINC000183191111 822438660 /nfs/dbraw/zinc/43/86/60/822438660.db2.gz GDXWTIORQFIZDL-IRFCIJBXSA-N 2 0 396.579 4.303 20 0 GIADRP c1cc(COc2ccc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2)ccn1 ZINC000179173704 822447013 /nfs/dbraw/zinc/44/70/13/822447013.db2.gz ARHPNMLTNXALLF-QPPBQGQZSA-N 2 0 377.532 4.109 20 0 GIADRP Cc1cc2ncc([C@H](C)[NH2+]C3[C@@H](C)C[NH+](Cc4ccccc4)C[C@@H]3C)c(C)n2n1 ZINC000179450753 822485002 /nfs/dbraw/zinc/48/50/02/822485002.db2.gz FXOKDTVNCSPILU-LNLFQRSKSA-N 2 0 391.563 4.153 20 0 GIADRP Cc1c([C@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cnn1-c1ccc(F)cc1 ZINC000179469770 822487288 /nfs/dbraw/zinc/48/72/88/822487288.db2.gz UGDIDAQWADFBLL-KRWDZBQOSA-N 2 0 393.510 4.282 20 0 GIADRP C[C@H](C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)c1nc(-c2ccccc2)no1 ZINC000179478378 822488373 /nfs/dbraw/zinc/48/83/73/822488373.db2.gz UTPNLIAECIPOPR-QZTJIDSGSA-N 2 0 394.519 4.131 20 0 GIADRP CC[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(Br)cc1 ZINC000179511125 822493630 /nfs/dbraw/zinc/49/36/30/822493630.db2.gz GRXWJUGLTPZBNB-SFHVURJKSA-N 2 0 392.341 4.025 20 0 GIADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000046917543 822530524 /nfs/dbraw/zinc/53/05/24/822530524.db2.gz MSFDMACTYKGPFK-QHCPKHFHSA-N 2 0 379.548 4.095 20 0 GIADRP CC[NH+](CC)[C@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccsc1 ZINC000047306840 822564088 /nfs/dbraw/zinc/56/40/88/822564088.db2.gz QOIKEEQCDIYHMK-JOCHJYFZSA-N 2 0 399.604 4.159 20 0 GIADRP CC[NH+]1CCN(CCC[NH2+][C@@H](c2ccc(F)cc2)c2ccccc2Cl)CC1 ZINC000180108657 822616797 /nfs/dbraw/zinc/61/67/97/822616797.db2.gz HCDLOMHEMQMGJP-QFIPXVFZSA-N 2 0 389.946 4.186 20 0 GIADRP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(Cl)c(F)c1 ZINC000180171252 822631908 /nfs/dbraw/zinc/63/19/08/822631908.db2.gz XEVCRSBYVQQWHL-SOUXKNCUSA-N 2 0 388.914 4.298 20 0 GIADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000180248399 822647863 /nfs/dbraw/zinc/64/78/63/822647863.db2.gz MEEDCAQAPUVYGD-UHFFFAOYSA-N 2 0 396.560 4.127 20 0 GIADRP c1ccc(OCc2cccnc2)c(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000180276060 822652926 /nfs/dbraw/zinc/65/29/26/822652926.db2.gz LQYOODWMFYOKOO-UHFFFAOYSA-N 2 0 388.515 4.062 20 0 GIADRP Cc1ccc(N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1NC(=O)CC[NH+](C)C ZINC000184657906 822671758 /nfs/dbraw/zinc/67/17/58/822671758.db2.gz HRFHSOYCAQZKCX-UGKGYDQZSA-N 2 0 394.563 4.133 20 0 GIADRP Cc1ccc(N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1NC(=O)CC[NH+](C)C ZINC000184657889 822671787 /nfs/dbraw/zinc/67/17/87/822671787.db2.gz HRFHSOYCAQZKCX-SIKLNZKXSA-N 2 0 394.563 4.133 20 0 GIADRP C[C@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[C@H](c1ccccc1)[NH+](C)C ZINC000455838562 822734762 /nfs/dbraw/zinc/73/47/62/822734762.db2.gz BUWQOQJTDBLMAP-KNXBSLHKSA-N 2 0 380.536 4.048 20 0 GIADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c1 ZINC000455930027 822751581 /nfs/dbraw/zinc/75/15/81/822751581.db2.gz OXHZIWUWFIAUTM-QHCPKHFHSA-N 2 0 394.563 4.140 20 0 GIADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(Br)cc2O)c1 ZINC000185352653 822769939 /nfs/dbraw/zinc/76/99/39/822769939.db2.gz GFJBJPYMYSBMLI-CQSZACIVSA-N 2 0 377.326 4.457 20 0 GIADRP C[C@@H]([NH2+]Cc1ccc(SC(=O)N(C)C)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185683121 822809816 /nfs/dbraw/zinc/80/98/16/822809816.db2.gz ABOOBTFWYLWHLB-SJLPKXTDSA-N 2 0 375.582 4.203 20 0 GIADRP COc1ccc([C@H](Cc2ccccc2)[NH2+]CC2(SC)CC[NH+](C)CC2)cc1 ZINC000569174974 822888727 /nfs/dbraw/zinc/88/87/27/822888727.db2.gz YKTKPIDDIJBQTF-QFIPXVFZSA-N 2 0 384.589 4.396 20 0 GIADRP COc1ccc([C@@H](Cc2ccccc2)[NH2+]CC2(SC)CC[NH+](C)CC2)cc1 ZINC000569174972 822888802 /nfs/dbraw/zinc/88/88/02/822888802.db2.gz YKTKPIDDIJBQTF-JOCHJYFZSA-N 2 0 384.589 4.396 20 0 GIADRP Oc1cc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cc(C(F)(F)F)c1 ZINC000569413749 822919331 /nfs/dbraw/zinc/91/93/31/822919331.db2.gz VHIXKTLCKIKLMN-UHFFFAOYSA-N 2 0 394.437 4.175 20 0 GIADRP [NH3+]CCCOC1CC[NH+](Cc2ccc(Oc3cc(F)cc(F)c3)cc2)CC1 ZINC000569693575 822956016 /nfs/dbraw/zinc/95/60/16/822956016.db2.gz TUQLGBQLEPJYEV-UHFFFAOYSA-N 2 0 376.447 4.087 20 0 GIADRP COc1ccc([C@@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000570025790 822998643 /nfs/dbraw/zinc/99/86/43/822998643.db2.gz JYXRBWINZYEJMY-QGZVFWFLSA-N 2 0 388.939 4.026 20 0 GIADRP C[NH+]1CCC(N2CCC([NH2+]Cc3ccc(Oc4ccc(F)cc4)cc3)CC2)CC1 ZINC000570362359 823028990 /nfs/dbraw/zinc/02/89/90/823028990.db2.gz MSTIDJIKFPHBQB-UHFFFAOYSA-N 2 0 397.538 4.266 20 0 GIADRP C[C@H]([NH2+]C1(CNC(=O)Nc2cccc3c2CC[NH2+]C3)CCCC1)c1ccccc1 ZINC000570425489 823036360 /nfs/dbraw/zinc/03/63/60/823036360.db2.gz WFRBDXWSLLEYQL-SFHVURJKSA-N 2 0 392.547 4.117 20 0 GIADRP CC[NH+](CC)[C@@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000060563545 823542729 /nfs/dbraw/zinc/54/27/29/823542729.db2.gz AUZAGWTZOVCDGS-QHCPKHFHSA-N 2 0 379.548 4.095 20 0 GIADRP C[C@@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000177936835 823548278 /nfs/dbraw/zinc/54/82/78/823548278.db2.gz JXVJXQRXYSPFCC-MZNJEOGPSA-N 2 0 396.531 4.200 20 0 GIADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(OCc3nccn3C)cc2)c1 ZINC000123923046 823552102 /nfs/dbraw/zinc/55/21/02/823552102.db2.gz NHHITJKVEVWYSW-LJQANCHMSA-N 2 0 392.547 4.302 20 0 GIADRP O=C(NC1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1)C1CCCCC1 ZINC000411357308 823566083 /nfs/dbraw/zinc/56/60/83/823566083.db2.gz SLBCFCQIZGXUFF-UHFFFAOYSA-N 2 0 397.607 4.333 20 0 GIADRP CC[C@H](C)[C@@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1ccc(Cl)cc1 ZINC000411469072 823578451 /nfs/dbraw/zinc/57/84/51/823578451.db2.gz FMDOTQPCUUNTBI-HRAATJIYSA-N 2 0 379.976 4.006 20 0 GIADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2ccc(Cl)c3ccccc32)CC1 ZINC000411549758 823587599 /nfs/dbraw/zinc/58/75/99/823587599.db2.gz HSOYWSWLYPBEPQ-MRXNPFEDSA-N 2 0 387.955 4.133 20 0 GIADRP Cc1noc(C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)c2ccccc2)n1 ZINC000411631404 823592659 /nfs/dbraw/zinc/59/26/59/823592659.db2.gz AVSPGHVNVMCJJH-HSZRJFAPSA-N 2 0 390.531 4.438 20 0 GIADRP Cc1c([C@H](C)[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cnn1C(C)C ZINC000191146673 823653707 /nfs/dbraw/zinc/65/37/07/823653707.db2.gz YQGMAKHIVURQPN-OTWHNJEPSA-N 2 0 384.568 4.232 20 0 GIADRP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccc([S@](C)=O)cc1 ZINC000125490404 823680346 /nfs/dbraw/zinc/68/03/46/823680346.db2.gz LAUYFKJULCCWQO-IVCQMTBJSA-N 2 0 376.591 4.048 20 0 GIADRP C[NH+]1CCC(CC[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CC1 ZINC000191510657 823693597 /nfs/dbraw/zinc/69/35/97/823693597.db2.gz XHFBBJYZFMEBKB-FQEVSTJZSA-N 2 0 395.385 4.238 20 0 GIADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000125746934 823703334 /nfs/dbraw/zinc/70/33/34/823703334.db2.gz QJUPPRMQDOBTLN-JKSUJKDBSA-N 2 0 385.474 4.133 20 0 GIADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000163756793 823745479 /nfs/dbraw/zinc/74/54/79/823745479.db2.gz BAFHMDJOJBGRJO-INIZCTEOSA-N 2 0 388.943 4.084 20 0 GIADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl ZINC000163756879 823746173 /nfs/dbraw/zinc/74/61/73/823746173.db2.gz BAFHMDJOJBGRJO-MRXNPFEDSA-N 2 0 388.943 4.084 20 0 GIADRP C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000163944133 823763758 /nfs/dbraw/zinc/76/37/58/823763758.db2.gz YGUHIURFYOOCSE-SFTDATJTSA-N 2 0 396.575 4.458 20 0 GIADRP C[C@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)[C@@H](C)c1ccccc1 ZINC000163944020 823763813 /nfs/dbraw/zinc/76/38/13/823763813.db2.gz YGUHIURFYOOCSE-RTWAWAEBSA-N 2 0 396.575 4.458 20 0 GIADRP CCCC[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000164489662 823804739 /nfs/dbraw/zinc/80/47/39/823804739.db2.gz BRSYKZSAKXGUST-OAHLLOKOSA-N 2 0 396.373 4.020 20 0 GIADRP C[C@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)c1ccc([S@@](C)=O)cc1 ZINC000164511338 823805899 /nfs/dbraw/zinc/80/58/99/823805899.db2.gz LCLSWEDADCKMAR-JMQGSBJISA-N 2 0 396.556 4.500 20 0 GIADRP C[C@@H]([NH2+][C@H](C)c1cccc(Cl)c1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000126208728 823812730 /nfs/dbraw/zinc/81/27/30/823812730.db2.gz PYSKAEDSLOHSJR-QZTJIDSGSA-N 2 0 399.966 4.160 20 0 GIADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000165300040 823842331 /nfs/dbraw/zinc/84/23/31/823842331.db2.gz MDVZKDLRZFORBL-ICSRJNTNSA-N 2 0 391.559 4.132 20 0 GIADRP C[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000165300408 823842578 /nfs/dbraw/zinc/84/25/78/823842578.db2.gz MDVZKDLRZFORBL-UYAOXDASSA-N 2 0 391.559 4.132 20 0 GIADRP COCc1cc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)ccc1OC ZINC000165324610 823843077 /nfs/dbraw/zinc/84/30/77/823843077.db2.gz ZNQFBVCIPIZPSW-FPOVZHCZSA-N 2 0 382.548 4.057 20 0 GIADRP C[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)c1cccs1 ZINC000165582516 823854181 /nfs/dbraw/zinc/85/41/81/823854181.db2.gz QNXXUPUVMHMKDS-AWEZNQCLSA-N 2 0 383.483 4.370 20 0 GIADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000165934237 823866386 /nfs/dbraw/zinc/86/63/86/823866386.db2.gz RCJRUJWWJLMLJC-KSSFIOAISA-N 2 0 379.545 4.265 20 0 GIADRP C[C@H](C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)[C@H]([NH3+])c1ccccc1 ZINC000166415421 823877581 /nfs/dbraw/zinc/87/75/81/823877581.db2.gz XBKLPSPHODRXMY-CVDCTZTESA-N 2 0 379.548 4.015 20 0 GIADRP CC(C)c1cccc2c1OCC[C@@H]2[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000166783278 823882837 /nfs/dbraw/zinc/88/28/37/823882837.db2.gz NDJUMCUTDRUXPF-DEOSSOPVSA-N 2 0 394.559 4.380 20 0 GIADRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1csc(-c2ccccc2)n1 ZINC000414096229 823908516 /nfs/dbraw/zinc/90/85/16/823908516.db2.gz HPKFNGAUEGNCSH-IBGZPJMESA-N 2 0 398.620 4.411 20 0 GIADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000126662073 823921891 /nfs/dbraw/zinc/92/18/91/823921891.db2.gz JWGRCDQWLREZIR-QGZVFWFLSA-N 2 0 386.609 4.173 20 0 GIADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000414200358 823927204 /nfs/dbraw/zinc/92/72/04/823927204.db2.gz XUFYSKFDHNHZPQ-BJLQDIEVSA-N 2 0 378.532 4.156 20 0 GIADRP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000126701275 823930757 /nfs/dbraw/zinc/93/07/57/823930757.db2.gz FGUBPYNDKIHIDO-ROUUACIJSA-N 2 0 385.527 4.306 20 0 GIADRP CC(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cc1 ZINC000414320850 823957987 /nfs/dbraw/zinc/95/79/87/823957987.db2.gz CZBAZLVJBQZYRX-LJQANCHMSA-N 2 0 393.575 4.358 20 0 GIADRP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccc(Cl)cc1 ZINC000414323318 823958376 /nfs/dbraw/zinc/95/83/76/823958376.db2.gz IINIFEMLKGXNNQ-JOCHJYFZSA-N 2 0 399.966 4.278 20 0 GIADRP Oc1cccc2c1CCC[C@H]2[NH2+]C/C=C/C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000192361094 823959096 /nfs/dbraw/zinc/95/90/96/823959096.db2.gz QFPABBHVTFUCKL-XFDDJKQHSA-N 2 0 378.516 4.288 20 0 GIADRP C[C@H](O)[C@](C)(C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000575785894 823995266 /nfs/dbraw/zinc/99/52/66/823995266.db2.gz ABHWMKFORJDQEU-NBMBROAQSA-N 2 0 380.576 4.116 20 0 GIADRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000575785702 823995299 /nfs/dbraw/zinc/99/52/99/823995299.db2.gz WEAYFJIWISCTGC-UHFFFAOYSA-N 2 0 394.485 4.443 20 0 GIADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](c1ccccc1)C1(CO)CCCCC1 ZINC000414518126 823999937 /nfs/dbraw/zinc/99/99/37/823999937.db2.gz AWBOTIIFANQKSG-HSZRJFAPSA-N 2 0 390.531 4.349 20 0 GIADRP C[NH2+]CCC1CCN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)CC1 ZINC000414706690 824025180 /nfs/dbraw/zinc/02/51/80/824025180.db2.gz GXDKZFJGHRPCMV-UHFFFAOYSA-N 2 0 386.584 4.305 20 0 GIADRP C[N@H+](Cc1ccccc1NC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)C1CCCCC1 ZINC000414714575 824025582 /nfs/dbraw/zinc/02/55/82/824025582.db2.gz QJDMPLYMSGQOIG-UXHICEINSA-N 2 0 398.595 4.305 20 0 GIADRP CCOc1cc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc(Br)c1OC ZINC000414804467 824037661 /nfs/dbraw/zinc/03/76/61/824037661.db2.gz FDBLKXJCDXJVMW-CYBMUJFWSA-N 2 0 393.325 4.166 20 0 GIADRP C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414821659 824039659 /nfs/dbraw/zinc/03/96/59/824039659.db2.gz BJLZXVHHONLCOS-HETCANSASA-N 2 0 380.576 4.490 20 0 GIADRP FC(F)(F)c1cccc(CCCC[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000192630249 824050236 /nfs/dbraw/zinc/05/02/36/824050236.db2.gz YKZGOCNXKJBTAS-GOSISDBHSA-N 2 0 384.486 4.119 20 0 GIADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)nc1 ZINC001164386906 718815797 /nfs/dbraw/zinc/81/57/97/718815797.db2.gz BVVVPTZPJNBEPS-IEBWSBKVSA-N 2 0 396.501 4.139 20 0 GIADRP Cc1c([C@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cnn1-c1ccc(F)cc1 ZINC000120880289 823081438 /nfs/dbraw/zinc/08/14/38/823081438.db2.gz KGSOAKPCRAPGDQ-HNNXBMFYSA-N 2 0 384.474 4.371 20 0 GIADRP Cc1ccccc1NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000056155000 823091080 /nfs/dbraw/zinc/09/10/80/823091080.db2.gz UQHUOKCXXILQHM-FQEVSTJZSA-N 2 0 379.548 4.344 20 0 GIADRP CN1CCC([NH+]2CCC(CC[N@H+](C)C/C=C/c3ccc(F)c(F)c3)CC2)CC1 ZINC000570886969 823102513 /nfs/dbraw/zinc/10/25/13/823102513.db2.gz QLBUHMKBUUTNNS-ONEGZZNKSA-N 2 0 391.550 4.106 20 0 GIADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)cc1 ZINC000571081422 823129072 /nfs/dbraw/zinc/12/90/72/823129072.db2.gz RZUDQROQWKGAIZ-QFIPXVFZSA-N 2 0 399.604 4.283 20 0 GIADRP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1cc2ccccc2s1 ZINC000187938105 823160982 /nfs/dbraw/zinc/16/09/82/823160982.db2.gz CRIYJSVEXKDCGR-INIZCTEOSA-N 2 0 381.545 4.044 20 0 GIADRP CC1CC[NH+](Cc2ccc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)cc2)CC1 ZINC000459381788 823178209 /nfs/dbraw/zinc/17/82/09/823178209.db2.gz DRSGNCSVPJMSOF-UHFFFAOYSA-N 3 0 378.564 4.072 20 0 GIADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cccc(OCc2ccccn2)c1 ZINC000459385455 823179668 /nfs/dbraw/zinc/17/96/68/823179668.db2.gz HSJVHBQUZMUTQI-LJQANCHMSA-N 2 0 388.515 4.375 20 0 GIADRP COc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c(OC2CCCC2)c1 ZINC000459425769 823189791 /nfs/dbraw/zinc/18/97/91/823189791.db2.gz MAAKCESRDXLREM-UHFFFAOYSA-N 2 0 381.520 4.170 20 0 GIADRP Brc1ccc2[nH]c(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)cc2c1 ZINC000459474577 823199801 /nfs/dbraw/zinc/19/98/01/823199801.db2.gz FPXLADYYWRVCMZ-UHFFFAOYSA-N 2 0 385.309 4.084 20 0 GIADRP Brc1ccc([C@H]2C[C@H]([NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC000459552951 823218764 /nfs/dbraw/zinc/21/87/64/823218764.db2.gz AMKSSOMHJJNORK-RUCARUNLSA-N 2 0 386.337 4.349 20 0 GIADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000459733416 823258510 /nfs/dbraw/zinc/25/85/10/823258510.db2.gz NMLDJVYKOUGYMC-QGZVFWFLSA-N 2 0 385.939 4.414 20 0 GIADRP COc1ccc([C@@H](CO)C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)cc1 ZINC000459741009 823259193 /nfs/dbraw/zinc/25/91/93/823259193.db2.gz JVZFZYFNEYADIO-LJQANCHMSA-N 2 0 376.585 4.040 20 0 GIADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000122124674 823309643 /nfs/dbraw/zinc/30/96/43/823309643.db2.gz OJBOZFAUFBQCHC-UHFFFAOYSA-N 2 0 389.515 4.051 20 0 GIADRP COc1ccc([C@@H](Cc2ccccc2C)[NH2+]CCCc2cncn2C)cc1OC ZINC000572972072 823428287 /nfs/dbraw/zinc/42/82/87/823428287.db2.gz NMULNTRSDCVYJB-JOCHJYFZSA-N 2 0 393.531 4.252 20 0 GIADRP C[NH+](C)Cc1ccc(C[NH2+]Cc2cc(Br)ccc2OC(F)F)cc1 ZINC000122960177 823439996 /nfs/dbraw/zinc/43/99/96/823439996.db2.gz PFSSNVQCMOJVSI-UHFFFAOYSA-N 2 0 399.279 4.402 20 0 GIADRP C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000026368989 820090880 /nfs/dbraw/zinc/09/08/80/820090880.db2.gz MIJQWICDYADBFQ-QZTJIDSGSA-N 2 0 399.966 4.160 20 0 GIADRP CCn1c2ccccc2c2cc(C[NH2+]C[C@H](C(C)C)N3CC[NH+](C)CC3)ccc21 ZINC000030665076 820661718 /nfs/dbraw/zinc/66/17/18/820661718.db2.gz SRMVMNPOMONBOT-RUZDIDTESA-N 2 0 392.591 4.176 20 0 GIADRP O[C@@H](C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)c1ccccc1C(F)(F)F ZINC000060468632 823531490 /nfs/dbraw/zinc/53/14/90/823531490.db2.gz GFDKKEDMWZMBRY-FQEVSTJZSA-N 2 0 384.486 4.327 20 0 GIADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@H](O)c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000180692891 821398468 /nfs/dbraw/zinc/39/84/68/821398468.db2.gz YGVWLACSDDSABY-YSGRDPCXSA-N 2 0 384.486 4.372 20 0 GIADRP CC1(C)[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C[C@@H]1c1ccccc1 ZINC000181016972 821595383 /nfs/dbraw/zinc/59/53/83/821595383.db2.gz FLLIMIUQPDONTB-DNQXCXABSA-N 2 0 378.560 4.315 20 0 GIADRP COCCc1nc(C)c([C@@H](C)[NH2+]CC2CC[NH+](Cc3cccs3)CC2)s1 ZINC000181405101 821808592 /nfs/dbraw/zinc/80/85/92/821808592.db2.gz ASVXZMRGJVKRDI-OAHLLOKOSA-N 2 0 393.622 4.265 20 0 GIADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000181594543 821895203 /nfs/dbraw/zinc/89/52/03/821895203.db2.gz GYNMGGXVCOQRFA-QQFBHYJXSA-N 2 0 385.474 4.133 20 0 GIADRP C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000181663872 821930446 /nfs/dbraw/zinc/93/04/46/821930446.db2.gz SLRAKJCIAOYFKL-KMFTYDHNSA-N 2 0 385.552 4.337 20 0 GIADRP CC(C)[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(F)c(F)c1 ZINC000182066698 822079959 /nfs/dbraw/zinc/07/99/59/822079959.db2.gz FNOUQBSAXMCCGF-HSZRJFAPSA-N 2 0 388.502 4.408 20 0 GIADRP COc1ccc([C@H](C)[NH2+]C[C@@H](c2ccco2)N(C)C)cc1C[NH+]1CCCCC1 ZINC000182204663 822146157 /nfs/dbraw/zinc/14/61/57/822146157.db2.gz ZJESYOUHXDGVQC-RXVVDRJESA-N 2 0 385.552 4.228 20 0 GIADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccccc1OC(F)F ZINC000182225313 822155634 /nfs/dbraw/zinc/15/56/34/822155634.db2.gz XCLPUOKQNHFZFQ-VQIMIIECSA-N 2 0 390.474 4.096 20 0 GIADRP COc1ccc([C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C(C)C)cc1 ZINC000182227732 822157181 /nfs/dbraw/zinc/15/71/81/822157181.db2.gz KEDOQXCHVYLVAJ-VWNXMTODSA-N 2 0 382.548 4.139 20 0 GIADRP Cc1cc(C)c2c(c1)[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)CCCO2 ZINC000182242028 822163508 /nfs/dbraw/zinc/16/35/08/822163508.db2.gz GSUFOIDOLJZCMX-VWNXMTODSA-N 2 0 394.559 4.264 20 0 GIADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(-c2ccncc2)c1 ZINC000182264196 822177434 /nfs/dbraw/zinc/17/74/34/822177434.db2.gz ADTJUOUGJVGYAK-DFBJGRDBSA-N 2 0 387.527 4.166 20 0 GIADRP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000182266151 822178352 /nfs/dbraw/zinc/17/83/52/822178352.db2.gz JZZUFIPHWJMFEA-UZLBHIALSA-N 2 0 388.939 4.156 20 0 GIADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CCc2cn3ccccc3n2)ccc1OC ZINC000182310538 822198173 /nfs/dbraw/zinc/19/81/73/822198173.db2.gz LSLRPYBYECBIJW-GOSISDBHSA-N 2 0 380.536 4.078 20 0 GIADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)c1 ZINC000177977099 822266747 /nfs/dbraw/zinc/26/67/47/822266747.db2.gz QMSIJVSLDBCKGA-SFHVURJKSA-N 2 0 381.520 4.334 20 0 GIADRP COc1ccc([C@H](C)[NH2+]C[C@@H](O)c2cccc(F)c2)cc1C[NH+]1CCCCC1 ZINC000182629119 822329855 /nfs/dbraw/zinc/32/98/55/822329855.db2.gz NYFLQFVXMMBCEI-HTAPYJJXSA-N 2 0 386.511 4.204 20 0 GIADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)ccc1OC ZINC000182839264 822376175 /nfs/dbraw/zinc/37/61/75/822376175.db2.gz RHNZEPAWSNTSNT-WOJBJXKFSA-N 3 0 375.601 4.308 20 0 GIADRP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000178477892 822383301 /nfs/dbraw/zinc/38/33/01/822383301.db2.gz XLKQOCXDIVCCOM-SFHVURJKSA-N 2 0 383.536 4.072 20 0 GIADRP CC(=O)N(c1nc(C[NH2+]CCCC[N@@H+](C)C2CC2)cs1)c1ccc(C)cc1 ZINC000453590764 822389939 /nfs/dbraw/zinc/38/99/39/822389939.db2.gz BFSYSAVCOFRENY-UHFFFAOYSA-N 2 0 386.565 4.100 20 0 GIADRP COc1ccc([C@H](C)[NH2+]C[C@@H](CO)c2ccccc2)cc1C[NH+]1CCCCC1 ZINC000183081041 822422233 /nfs/dbraw/zinc/42/22/33/822422233.db2.gz ULHXEUKICCRSDQ-CVDCTZTESA-N 2 0 382.548 4.108 20 0 GIADRP C[C@@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183101552 822424488 /nfs/dbraw/zinc/42/44/88/822424488.db2.gz DJMKOMBEJBSSBG-CTNGQTDRSA-N 2 0 379.548 4.403 20 0 GIADRP C[N@H+](Cc1ccccc1NC(=O)N1CC[C@]2(C1)CCC[NH+](C)C2)C1CCCCC1 ZINC000454223710 822440636 /nfs/dbraw/zinc/44/06/36/822440636.db2.gz GBCIJORHAJHPPE-XMMPIXPASA-N 2 0 398.595 4.401 20 0 GIADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]Cc2ccc([S@@](C)=O)cc2)ccc1OC ZINC000183320807 822458656 /nfs/dbraw/zinc/45/86/56/822458656.db2.gz JNMGUYFEZDGJFQ-XGCWNURASA-N 2 0 388.577 4.125 20 0 GIADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cn2cc(Cl)ccc2n1 ZINC000179389608 822475580 /nfs/dbraw/zinc/47/55/80/822475580.db2.gz AKEJOGUYWIIZCQ-UHFFFAOYSA-N 2 0 383.927 4.121 20 0 GIADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000183493861 822485538 /nfs/dbraw/zinc/48/55/38/822485538.db2.gz DHYRLMAFVLMTKY-FQEVSTJZSA-N 2 0 375.557 4.018 20 0 GIADRP C[C@@H]([NH2+]C[C@H](C)c1nc(-c2ccccc2)no1)c1ccc(OCC[NH+](C)C)cc1 ZINC000179478230 822488336 /nfs/dbraw/zinc/48/83/36/822488336.db2.gz XYTASZKIGUYRTH-ZWKOTPCHSA-N 2 0 394.519 4.131 20 0 GIADRP C[C@H](C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1nc(-c2ccccc2)no1 ZINC000179478219 822488398 /nfs/dbraw/zinc/48/83/98/822488398.db2.gz XYTASZKIGUYRTH-MSOLQXFVSA-N 2 0 394.519 4.131 20 0 GIADRP S=c1ccn(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c2ccccc12 ZINC000183520874 822489324 /nfs/dbraw/zinc/48/93/24/822489324.db2.gz PCHKJIPTQTULJX-UHFFFAOYSA-N 2 0 385.577 4.153 20 0 GIADRP C[NH+](C)CCC1CC[NH+](Cc2ccc(Br)c3cccnc23)CC1 ZINC000179970169 822587904 /nfs/dbraw/zinc/58/79/04/822587904.db2.gz PKQXVPFXBTZDJL-UHFFFAOYSA-N 2 0 376.342 4.161 20 0 GIADRP CCN1CC[NH+](CCCC[NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000180015376 822597098 /nfs/dbraw/zinc/59/70/98/822597098.db2.gz LFTOHGUIHFBIES-HXUWFJFHSA-N 2 0 384.395 4.452 20 0 GIADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1nc2ccc(Cl)cc2n1C ZINC000180024774 822599304 /nfs/dbraw/zinc/59/93/04/822599304.db2.gz CVUVREOYKWTFGD-OAHLLOKOSA-N 2 0 386.927 4.018 20 0 GIADRP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2CCc3c2cccc3Br)c1 ZINC000180025121 822599411 /nfs/dbraw/zinc/59/94/11/822599411.db2.gz FKTCOHAVFNICGX-FQEVSTJZSA-N 2 0 389.337 4.167 20 0 GIADRP COc1ccc([C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C(C)C)cc1 ZINC000180097637 822614862 /nfs/dbraw/zinc/61/48/62/822614862.db2.gz FJIBGSRKRSAGCG-XMMPIXPASA-N 2 0 382.548 4.139 20 0 GIADRP CCN1CC[NH+](CCCC[NH2+][C@@H](c2ccccc2)c2cc(C)ccc2C)CC1 ZINC000180109965 822617323 /nfs/dbraw/zinc/61/73/23/822617323.db2.gz KKOTZPURSMYVNM-VWLOTQADSA-N 2 0 379.592 4.400 20 0 GIADRP CC(C)[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000180124173 822620299 /nfs/dbraw/zinc/62/02/99/822620299.db2.gz GAKHOFDLNDYANC-OXQOHEQNSA-N 2 0 384.486 4.493 20 0 GIADRP Cc1cccc(N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)n1 ZINC000180141224 822624955 /nfs/dbraw/zinc/62/49/55/822624955.db2.gz SWTJKJANPOMFKS-CWAQXLGLSA-N 2 0 390.575 4.144 20 0 GIADRP CC[C@H](C)[NH2+][C@H](CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1ccco1 ZINC000455836240 822734286 /nfs/dbraw/zinc/73/42/86/822734286.db2.gz AVAWOKXJQIQUSF-BEVDRBHNSA-N 2 0 384.524 4.079 20 0 GIADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NCc3ccc(C[NH+]4CCCC4)cc3)ccc21 ZINC000455846040 822736013 /nfs/dbraw/zinc/73/60/13/822736013.db2.gz BCBFSMUUEFQQEL-QHCPKHFHSA-N 2 0 392.547 4.153 20 0 GIADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCc3ccccc3C[NH+]3CCCC3)ccc21 ZINC000455878491 822741363 /nfs/dbraw/zinc/74/13/63/822741363.db2.gz PWJBYGUMXIINGP-HSZRJFAPSA-N 2 0 392.547 4.153 20 0 GIADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)ccc21 ZINC000455887884 822742773 /nfs/dbraw/zinc/74/27/73/822742773.db2.gz XGXGSKSGLOIRJZ-WOJBJXKFSA-N 2 0 398.576 4.256 20 0 GIADRP C[C@@H]1C[C@H](NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000455939939 822753720 /nfs/dbraw/zinc/75/37/20/822753720.db2.gz UAOZBFDLQCKKIZ-FHZYATBESA-N 2 0 392.547 4.020 20 0 GIADRP CC1CC[NH+](C2CCC(NC(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)CC2)CC1 ZINC000455947050 822755898 /nfs/dbraw/zinc/75/58/98/822755898.db2.gz XGTIYZYNFDEBPV-IRSIHTCSSA-N 2 0 398.595 4.400 20 0 GIADRP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cc(Br)ccc1O ZINC000185459146 822786919 /nfs/dbraw/zinc/78/69/19/822786919.db2.gz PGQFRORREXSXIG-LBPRGKRZSA-N 2 0 381.289 4.206 20 0 GIADRP C[C@@H]1C[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC[N@@H+]1C ZINC000174516931 822799922 /nfs/dbraw/zinc/79/99/22/822799922.db2.gz BJGZHSHSGRNPJF-DYESRHJHSA-N 2 0 378.495 4.251 20 0 GIADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000174868899 822848929 /nfs/dbraw/zinc/84/89/29/822848929.db2.gz URSUYPBPEVKLJR-JOCHJYFZSA-N 2 0 394.563 4.124 20 0 GIADRP CCn1c2ccccc2c2cc(C[N@@H+]3C[C@@H](C[NH3+])C4(C3)CCOCC4)ccc21 ZINC000569123729 822881674 /nfs/dbraw/zinc/88/16/74/822881674.db2.gz WCLYASYYCUOXMC-LJQANCHMSA-N 2 0 377.532 4.002 20 0 GIADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000186564288 822914091 /nfs/dbraw/zinc/91/40/91/822914091.db2.gz OILDWWJIHNWYGN-TZMCWYRMSA-N 2 0 376.397 4.048 20 0 GIADRP Cc1cccc(COc2ccc([C@H](C)[NH2+][C@@H](C)CCN3CC[NH+](C)CC3)cc2)c1 ZINC000186585765 822917805 /nfs/dbraw/zinc/91/78/05/822917805.db2.gz YUCHEEFZKMLAGZ-VXKWHMMOSA-N 2 0 395.591 4.251 20 0 GIADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(-c2ccccc2F)s1 ZINC000186587892 822918119 /nfs/dbraw/zinc/91/81/19/822918119.db2.gz DRSMYMOENUDDBT-SJORKVTESA-N 2 0 375.557 4.231 20 0 GIADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC000186590001 822918612 /nfs/dbraw/zinc/91/86/12/822918612.db2.gz HWDRULQTFGKYLC-STQMWFEESA-N 2 0 378.775 4.323 20 0 GIADRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cncc(Br)c3)cc2)C1 ZINC000186589778 822918616 /nfs/dbraw/zinc/91/86/16/822918616.db2.gz CRMKRURLRCCOKA-INIZCTEOSA-N 2 0 388.353 4.366 20 0 GIADRP COc1ccccc1-c1ccc([C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000186590673 822919000 /nfs/dbraw/zinc/91/90/00/822919000.db2.gz NIQQCZORLGQMKM-WOJBJXKFSA-N 2 0 381.564 4.039 20 0 GIADRP CCOc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)CCO2 ZINC000186700428 822940309 /nfs/dbraw/zinc/94/03/09/822940309.db2.gz JYUBONXPOYZIJI-VGOFRKELSA-N 2 0 384.520 4.200 20 0 GIADRP COc1c(Br)cccc1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000187103524 823010930 /nfs/dbraw/zinc/01/09/30/823010930.db2.gz ZXRYNRDDUQGNEZ-UHFFFAOYSA-N 2 0 389.337 4.343 20 0 GIADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3ccc4c(c3)CCC(=O)N4C)cc2)C1 ZINC000187123494 823014102 /nfs/dbraw/zinc/01/41/02/823014102.db2.gz ARZIFKABABHEHD-LJQANCHMSA-N 2 0 391.559 4.117 20 0 GIADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000060580883 823544639 /nfs/dbraw/zinc/54/46/39/823544639.db2.gz GXQQTJZMQAFYRJ-DEOSSOPVSA-N 2 0 393.575 4.057 20 0 GIADRP C[C@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000177936847 823548234 /nfs/dbraw/zinc/54/82/34/823548234.db2.gz JXVJXQRXYSPFCC-XDHUDOTRSA-N 2 0 396.531 4.200 20 0 GIADRP CCCCCNC(=O)C1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411165601 823553549 /nfs/dbraw/zinc/55/35/49/823553549.db2.gz QAOHTLRHHVTNTH-UHFFFAOYSA-N 2 0 385.596 4.191 20 0 GIADRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)C2)CC1 ZINC000411248281 823560328 /nfs/dbraw/zinc/56/03/28/823560328.db2.gz ATHWVXUHVXUKAX-GOTSBHOMSA-N 2 0 383.967 4.141 20 0 GIADRP CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411262641 823560945 /nfs/dbraw/zinc/56/09/45/823560945.db2.gz HVHWCXPZCUJVSZ-QFIPXVFZSA-N 2 0 385.596 4.047 20 0 GIADRP COc1ccc(C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)c(OC)c1 ZINC000061000070 823571862 /nfs/dbraw/zinc/57/18/62/823571862.db2.gz MOBRZHVHOMFBDV-OALUTQOASA-N 2 0 382.548 4.472 20 0 GIADRP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1cccc(Br)c1 ZINC000061069903 823576680 /nfs/dbraw/zinc/57/66/80/823576680.db2.gz XGZLIWBUJXUYTC-UHFFFAOYSA-N 2 0 391.353 4.460 20 0 GIADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCC(=O)Nc1ccccc1Cl ZINC000411537544 823586290 /nfs/dbraw/zinc/58/62/90/823586290.db2.gz VTWMKXBHOKXFJX-ROUUACIJSA-N 2 0 399.966 4.415 20 0 GIADRP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000061286188 823589627 /nfs/dbraw/zinc/58/96/27/823589627.db2.gz SOHVYODJXGBXCV-UHFFFAOYSA-N 2 0 395.572 4.084 20 0 GIADRP COc1ccccc1-c1ccc([C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000124379515 823591857 /nfs/dbraw/zinc/59/18/57/823591857.db2.gz OJPPKUHDZKYIMC-HXUWFJFHSA-N 2 0 395.591 4.286 20 0 GIADRP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000124493591 823601239 /nfs/dbraw/zinc/60/12/39/823601239.db2.gz YLWALPXMYUNZAC-QGZVFWFLSA-N 2 0 386.609 4.043 20 0 GIADRP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C1CCN(CC(F)(F)F)CC1 ZINC000411812547 823607315 /nfs/dbraw/zinc/60/73/15/823607315.db2.gz YOMBUXQCQUHZSK-UHFFFAOYSA-N 2 0 383.502 4.131 20 0 GIADRP CCc1nc2c(s1)[C@@H]([NH2+]Cc1ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc1)CCC2 ZINC000124614949 823611316 /nfs/dbraw/zinc/61/13/16/823611316.db2.gz BZCFOZBEYUYDJB-QKLQHJQFSA-N 2 0 399.604 4.482 20 0 GIADRP C[C@H]([NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)c1ccc(-n2cncn2)cc1 ZINC000124730399 823621683 /nfs/dbraw/zinc/62/16/83/823621683.db2.gz QRUYBKQCARHWLL-AQNXPRMDSA-N 2 0 389.547 4.075 20 0 GIADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1nc(-c2ccccc2)cs1 ZINC000124767921 823624613 /nfs/dbraw/zinc/62/46/13/823624613.db2.gz LOSPUNKGJZPDPW-LJQANCHMSA-N 2 0 398.620 4.411 20 0 GIADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(F)cc1OC(F)F ZINC000124771882 823624975 /nfs/dbraw/zinc/62/49/75/823624975.db2.gz PXDBKBULKYBDEU-MRXNPFEDSA-N 2 0 399.501 4.028 20 0 GIADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cccc(-c2ccncc2)c1 ZINC000124790185 823626545 /nfs/dbraw/zinc/62/65/45/823626545.db2.gz NWLKVZUZNFOEGY-OAQYLSRUSA-N 2 0 392.591 4.350 20 0 GIADRP C[NH+](C)CCCCC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000574424231 823725934 /nfs/dbraw/zinc/72/59/34/823725934.db2.gz QNJKNEWVBDGEPI-HUDNXNEVSA-N 2 0 391.987 4.102 20 0 GIADRP CC(C)CC[NH+]1CCC(C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CC1 ZINC000163596946 823726841 /nfs/dbraw/zinc/72/68/41/823726841.db2.gz ASOXDNJUEOXPKY-UHFFFAOYSA-N 2 0 383.580 4.167 20 0 GIADRP C[C@H](C[NH2+][C@H]1CCCCC[C@@H]1c1ccc(Cl)cc1)CN1CC[NH+](C)CC1 ZINC000574554106 823764316 /nfs/dbraw/zinc/76/43/16/823764316.db2.gz YFZMGQPIPOWNGD-QIJUGHKUSA-N 2 0 378.004 4.229 20 0 GIADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000126166178 823803474 /nfs/dbraw/zinc/80/34/74/823803474.db2.gz SOPKWAZXWQGHNC-OAHLLOKOSA-N 2 0 393.453 4.274 20 0 GIADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C3(c4ccccc4)CC[NH2+]CC3)cc2)C1 ZINC000164575193 823809482 /nfs/dbraw/zinc/80/94/82/823809482.db2.gz CWSSMMOLIKNILQ-HXUWFJFHSA-N 2 0 391.559 4.178 20 0 GIADRP CC[NH+]1CCC(NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000462113586 823832206 /nfs/dbraw/zinc/83/22/06/823832206.db2.gz TXZJOQITIGZSBF-PXNSSMCTSA-N 2 0 383.502 4.162 20 0 GIADRP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(N2CCCC2=O)c1 ZINC000165318412 823843404 /nfs/dbraw/zinc/84/34/04/823843404.db2.gz WRAOJIXADMBYJS-IRLDBZIGSA-N 2 0 391.559 4.029 20 0 GIADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(N2CCCC2=O)c1 ZINC000165318536 823843455 /nfs/dbraw/zinc/84/34/55/823843455.db2.gz WRAOJIXADMBYJS-RBBKRZOGSA-N 2 0 391.559 4.029 20 0 GIADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000165334917 823844574 /nfs/dbraw/zinc/84/45/74/823844574.db2.gz XWLPFEQIRJURHB-UNMCSNQZSA-N 2 0 391.559 4.029 20 0 GIADRP c1cn(Cc2ccc(-c3ccccc3C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)cn1 ZINC000166484978 823878592 /nfs/dbraw/zinc/87/85/92/823878592.db2.gz IUSWJLFPNFSNGM-DNQXCXABSA-N 2 0 386.543 4.315 20 0 GIADRP COc1cc(F)c([C@@H](C)[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1OC ZINC000168537954 823903627 /nfs/dbraw/zinc/90/36/27/823903627.db2.gz HOIVPYWACISJQX-JKSUJKDBSA-N 2 0 390.499 4.195 20 0 GIADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414091590 823907050 /nfs/dbraw/zinc/90/70/50/823907050.db2.gz LUHFZTDKCGCKGA-KVJIRVJXSA-N 2 0 376.972 4.334 20 0 GIADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000414297594 823953756 /nfs/dbraw/zinc/95/37/56/823953756.db2.gz GIRRUXUEOJKKAL-DHIUTWEWSA-N 2 0 393.575 4.033 20 0 GIADRP OC1(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000414310412 823955676 /nfs/dbraw/zinc/95/56/76/823955676.db2.gz SYWACNRTLWEDHM-QFIPXVFZSA-N 2 0 392.543 4.050 20 0 GIADRP CCc1ncc(C[NH2+][C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC000414436282 823985311 /nfs/dbraw/zinc/98/53/11/823985311.db2.gz BZNBEHPFJWGRPR-UXGKSEPASA-N 2 0 384.955 4.396 20 0 GIADRP C[C@H](O)[C@](C)(C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000575785893 823995332 /nfs/dbraw/zinc/99/53/32/823995332.db2.gz ABHWMKFORJDQEU-MHOPESGUSA-N 2 0 380.576 4.116 20 0 GIADRP OC1(C[NH2+]Cc2csc(Cl)c2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000414530148 824002852 /nfs/dbraw/zinc/00/28/52/824002852.db2.gz XAUJODLJJRXJNJ-UHFFFAOYSA-N 2 0 385.360 4.172 20 0 GIADRP COc1ccc([C@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)C(C)C)c(Br)c1 ZINC000575959171 824038155 /nfs/dbraw/zinc/03/81/55/824038155.db2.gz LUOGUQKLAJUFKU-IFXJQAMLSA-N 2 0 381.358 4.229 20 0 GIADRP CCC([NH3+])(CC)C[NH2+][C@@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414811190 824038279 /nfs/dbraw/zinc/03/82/79/824038279.db2.gz PBGNCQWMBMNBLH-NSHDSACASA-N 2 0 379.854 4.183 20 0 GIADRP COc1cc(C[NH2+][C@@H](C)CC[NH3+])ccc1OCc1cccc(C(F)(F)F)c1 ZINC000414903496 824047985 /nfs/dbraw/zinc/04/79/85/824047985.db2.gz ZVRRYPBCGXQHSB-AWEZNQCLSA-N 2 0 382.426 4.120 20 0 GIADRP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(OC(C)C)cc[nH+]4)CC3)C2)cc1 ZINC001164940933 721927310 /nfs/dbraw/zinc/92/73/10/721927310.db2.gz WVTGBEJJSCRFMF-UHFFFAOYSA-N 2 0 395.547 4.049 20 0 GIADRP C[C@H](C[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000571006357 823119225 /nfs/dbraw/zinc/11/92/25/823119225.db2.gz RGPZWCUMSTXACY-GOSISDBHSA-N 2 0 397.529 4.349 20 0 GIADRP CCC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccsc1 ZINC000187786400 823132846 /nfs/dbraw/zinc/13/28/46/823132846.db2.gz HDJUSAUCOGWJCQ-OAQYLSRUSA-N 2 0 385.577 4.205 20 0 GIADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NCc1[nH+]c(C(C)C)n2ccccc12 ZINC000571171152 823143855 /nfs/dbraw/zinc/14/38/55/823143855.db2.gz DMLCAGSWFYCXPY-UHFFFAOYSA-N 2 0 377.536 4.130 20 0 GIADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cc4ccccc4nc3N3CCCCC3)C2)CC1 ZINC000571247083 823155029 /nfs/dbraw/zinc/15/50/29/823155029.db2.gz SMMIMYVSUNYARC-QFIPXVFZSA-N 2 0 392.591 4.389 20 0 GIADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2sc(-c3ccccc3)nc2C)CC1 ZINC000121323691 823163276 /nfs/dbraw/zinc/16/32/76/823163276.db2.gz FNCXWCKRNPLLQS-ROUUACIJSA-N 2 0 386.609 4.043 20 0 GIADRP c1nc2ccccc2n1-c1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000459388397 823180624 /nfs/dbraw/zinc/18/06/24/823180624.db2.gz LOFDKYRTRICGLN-UHFFFAOYSA-N 2 0 383.499 4.179 20 0 GIADRP O[C@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)Cn1c2ccccc2c2ccccc21 ZINC000571516382 823194893 /nfs/dbraw/zinc/19/48/93/823194893.db2.gz MZMRUEJNDDOFGZ-OAQYLSRUSA-N 2 0 391.559 4.152 20 0 GIADRP Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459522553 823210610 /nfs/dbraw/zinc/21/06/10/823210610.db2.gz IMOLLTBQDJDVKR-SFHVURJKSA-N 2 0 380.561 4.193 20 0 GIADRP O=C(c1ccco1)N1CCC([NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000121657218 823224186 /nfs/dbraw/zinc/22/41/86/823224186.db2.gz MCGFKAHZHJZGRB-UHFFFAOYSA-N 2 0 395.547 4.050 20 0 GIADRP Clc1cccc(CC[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000459593621 823226730 /nfs/dbraw/zinc/22/67/30/823226730.db2.gz QMJHESAAOUDURF-JOCHJYFZSA-N 2 0 398.978 4.401 20 0 GIADRP C[C@H]([NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1cncc(F)c1)c1cncc(F)c1 ZINC000459624118 823231730 /nfs/dbraw/zinc/23/17/30/823231730.db2.gz UKIOCZMRXDOJBW-HOTGVXAUSA-N 2 0 382.458 4.456 20 0 GIADRP C[C@@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000121821365 823257766 /nfs/dbraw/zinc/25/77/66/823257766.db2.gz UZSCWHQSCDGPIZ-MOPGFXCFSA-N 2 0 378.520 4.225 20 0 GIADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cccc(NC(=O)c3ccccc3Cl)c2)C1 ZINC000459733414 823258528 /nfs/dbraw/zinc/25/85/28/823258528.db2.gz NMLDJVYKOUGYMC-KRWDZBQOSA-N 2 0 385.939 4.414 20 0 GIADRP c1ccc(-c2noc(CCC[NH+]3CCC(CCC[NH+]4CCCC4)CC3)n2)cc1 ZINC000121982553 823288422 /nfs/dbraw/zinc/28/84/22/823288422.db2.gz YXWOWGJIGLEIAZ-UHFFFAOYSA-N 2 0 382.552 4.257 20 0 GIADRP FC(F)(F)c1csc([C@@H]2CCC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)n1 ZINC000572249760 823307379 /nfs/dbraw/zinc/30/73/79/823307379.db2.gz YFHYBKZEJNLLGC-OAHLLOKOSA-N 2 0 381.467 4.187 20 0 GIADRP CCOc1ccccc1NC(=O)CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122114668 823308104 /nfs/dbraw/zinc/30/81/04/823308104.db2.gz RHIHITHSEYDMPW-UHFFFAOYSA-N 2 0 387.568 4.002 20 0 GIADRP Cc1c([C@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)cnn1-c1ccc(F)cc1 ZINC000122313694 823336300 /nfs/dbraw/zinc/33/63/00/823336300.db2.gz LKCYTGIEKIYVKK-KRWDZBQOSA-N 2 0 396.510 4.111 20 0 GIADRP c1cc2c(cccc2C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC000176985607 823342868 /nfs/dbraw/zinc/34/28/68/823342868.db2.gz WAVKOTUMSNYGAF-UHFFFAOYSA-N 2 0 377.532 4.329 20 0 GIADRP Cc1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc(C)c1OCc1ccccn1 ZINC000572643175 823373686 /nfs/dbraw/zinc/37/36/86/823373686.db2.gz LVCLKARDFSMJIA-QFIPXVFZSA-N 2 0 379.548 4.099 20 0 GIADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc(Br)cc1 ZINC000177226648 823404471 /nfs/dbraw/zinc/40/44/71/823404471.db2.gz UWRUYXZZBHINNZ-OAHLLOKOSA-N 2 0 377.326 4.240 20 0 GIADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000177357122 823444134 /nfs/dbraw/zinc/44/41/34/823444134.db2.gz KYGOYRCYBZVLOJ-AQNXPRMDSA-N 2 0 379.589 4.017 20 0 GIADRP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)[C@@H]1c1ccccc1 ZINC000573205844 823465207 /nfs/dbraw/zinc/46/52/07/823465207.db2.gz DYCUZKCIPVHTJR-SGNDLWITSA-N 2 0 375.560 4.219 20 0 GIADRP C[N@@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)[C@@H]1c1ccccc1 ZINC000573205842 823465311 /nfs/dbraw/zinc/46/53/11/823465311.db2.gz DYCUZKCIPVHTJR-HJOGWXRNSA-N 2 0 375.560 4.219 20 0 GIADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000189950067 823517021 /nfs/dbraw/zinc/51/70/21/823517021.db2.gz DWOMLXJLAQYHHI-DETIRCLXSA-N 2 0 399.623 4.017 20 0 GIADRP Cc1ccccc1NC(=O)CC[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000189948031 823517072 /nfs/dbraw/zinc/51/70/72/823517072.db2.gz OHLDGNPUXFYAFN-WOJBJXKFSA-N 2 0 379.548 4.070 20 0 GIADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc(Cl)c4cccnc34)CC2)C[C@@H](C)O1 ZINC000060368360 823520529 /nfs/dbraw/zinc/52/05/29/823520529.db2.gz LMKAVXWHTZTIHW-IAGOWNOFSA-N 2 0 387.955 4.209 20 0 GIADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Cl)nc3ccccc23)[C@H](C)C1 ZINC000189993859 823523071 /nfs/dbraw/zinc/52/30/71/823523071.db2.gz KSYOAXDRFILCCL-APWZRJJASA-N 2 0 375.944 4.115 20 0 GIADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(Cl)c(Cl)c1 ZINC000180643722 821379999 /nfs/dbraw/zinc/37/99/99/821379999.db2.gz WMBBUBJKLPVFNJ-KSSFIOAISA-N 2 0 379.331 4.411 20 0 GIADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC000180903479 821527182 /nfs/dbraw/zinc/52/71/82/821527182.db2.gz ZMTIYLBYGJXLAR-UHFFFAOYSA-N 2 0 395.469 4.083 20 0 GIADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(SC(F)F)cc1 ZINC000181415846 821813831 /nfs/dbraw/zinc/81/38/31/821813831.db2.gz MDEKSMWPZFHLCD-KYNGSXCRSA-N 2 0 384.536 4.420 20 0 GIADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cccc(OC(F)(F)F)c1 ZINC000181416655 821814589 /nfs/dbraw/zinc/81/45/89/821814589.db2.gz UVSOWZZBPZAJMV-JVPBZIDWSA-N 2 0 386.458 4.004 20 0 GIADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000181676803 821939216 /nfs/dbraw/zinc/93/92/16/821939216.db2.gz UXBYIDRSLJTXNS-UHFFFAOYSA-N 2 0 399.623 4.115 20 0 GIADRP C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000182161275 822124645 /nfs/dbraw/zinc/12/46/45/822124645.db2.gz LGFDCVPUXBJFMU-UZQPLGKSSA-N 2 0 390.474 4.086 20 0 GIADRP CSc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1F ZINC000182240670 822162486 /nfs/dbraw/zinc/16/24/86/822162486.db2.gz XPJVBDWZJNUTSV-OXJNMPFZSA-N 2 0 388.552 4.355 20 0 GIADRP COc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000177980042 822267899 /nfs/dbraw/zinc/26/78/99/822267899.db2.gz MEZNMWHJZGESPH-SFHVURJKSA-N 2 0 383.536 4.042 20 0 GIADRP COc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccccc2F)cc1C[NH+]1CCCCC1 ZINC000182537001 822288773 /nfs/dbraw/zinc/28/87/73/822288773.db2.gz XJVCLEMDGFAPMM-HTAPYJJXSA-N 2 0 386.511 4.204 20 0 GIADRP C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182569412 822306997 /nfs/dbraw/zinc/30/69/97/822306997.db2.gz VJYGWFWDHQHPDR-AZCLRUCKSA-N 2 0 381.486 4.009 20 0 GIADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000178239861 822357550 /nfs/dbraw/zinc/35/75/50/822357550.db2.gz PSCQOKNVEAPHRC-YWZLYKJASA-N 2 0 391.437 4.099 20 0 GIADRP Cc1cc(Br)c(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000453578540 822387351 /nfs/dbraw/zinc/38/73/51/822387351.db2.gz YXXPBSWEDMWPQC-UHFFFAOYSA-N 2 0 380.355 4.220 20 0 GIADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000178712563 822404905 /nfs/dbraw/zinc/40/49/05/822404905.db2.gz OBQYVHZAYJRYJR-MRXNPFEDSA-N 2 0 394.401 4.128 20 0 GIADRP Cc1nc(C)c([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)s1 ZINC000178758690 822407620 /nfs/dbraw/zinc/40/76/20/822407620.db2.gz ZWJUVXRLVCATPF-ZIAGYGMSSA-N 2 0 376.545 4.063 20 0 GIADRP CC(C)(C)[NH+]1CCC(Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)CC1 ZINC000183028442 822414102 /nfs/dbraw/zinc/41/41/02/822414102.db2.gz RXUJAOGFXUKNLC-UHFFFAOYSA-N 2 0 386.584 4.176 20 0 GIADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H](C)Cc2c(C)nn(C)c2C)ccc1OC ZINC000183029522 822414173 /nfs/dbraw/zinc/41/41/73/822414173.db2.gz DRGPJAIPECPGND-IRXDYDNUSA-N 2 0 386.584 4.169 20 0 GIADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000046007947 822433980 /nfs/dbraw/zinc/43/39/80/822433980.db2.gz UWWJWTRSSBGWCI-LJQANCHMSA-N 2 0 394.563 4.302 20 0 GIADRP C[N@H+](Cc1ccccc1NC(=O)N1CC[C@@]2(C1)CCC[NH+](C)C2)C1CCCCC1 ZINC000454223709 822440527 /nfs/dbraw/zinc/44/05/27/822440527.db2.gz GBCIJORHAJHPPE-DEOSSOPVSA-N 2 0 398.595 4.401 20 0 GIADRP C[C@H](c1nc(-c2cccs2)no1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179394657 822476494 /nfs/dbraw/zinc/47/64/94/822476494.db2.gz SEGBJJRLSIPURL-MRXNPFEDSA-N 2 0 397.548 4.493 20 0 GIADRP CC[NH+](CC)Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000046661067 822500409 /nfs/dbraw/zinc/50/04/09/822500409.db2.gz DLGJJDQSUSMWLB-UHFFFAOYSA-N 2 0 379.548 4.054 20 0 GIADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CCc2c1cccc2Br ZINC000180072610 822609673 /nfs/dbraw/zinc/60/96/73/822609673.db2.gz NGKAAJWUXNSRNG-IBGZPJMESA-N 2 0 389.337 4.167 20 0 GIADRP CCC(CC)C(=O)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000180110351 822617461 /nfs/dbraw/zinc/61/74/61/822617461.db2.gz RCCUIYQMDXONPN-CWAQXLGLSA-N 2 0 397.607 4.199 20 0 GIADRP CCN1CC[NH+](CCCC[NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000180110475 822617472 /nfs/dbraw/zinc/61/74/72/822617472.db2.gz YEDOAJDEKTWDAB-HSZRJFAPSA-N 2 0 385.983 4.437 20 0 GIADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000180135389 822623613 /nfs/dbraw/zinc/62/36/13/822623613.db2.gz RCKMNCBMXVNGIN-UVHRUJRTSA-N 2 0 381.605 4.170 20 0 GIADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)C2)CC1 ZINC000455892912 822743552 /nfs/dbraw/zinc/74/35/52/822743552.db2.gz CAHOZBKPFIGWAX-CVDCTZTESA-N 2 0 398.595 4.211 20 0 GIADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCC[C@H](C[NH+]4CCCCCC4)C3)ccc21 ZINC000455919647 822749418 /nfs/dbraw/zinc/74/94/18/822749418.db2.gz LJOIVLIFCJPEIQ-XXBNENTESA-N 2 0 398.595 4.355 20 0 GIADRP Cc1ccc([C@H](CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)[NH+]2CCCC2)o1 ZINC000455919612 822749427 /nfs/dbraw/zinc/74/94/27/822749427.db2.gz LIAFBLXUWIVDHP-SFTDATJTSA-N 2 0 396.535 4.096 20 0 GIADRP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccco1 ZINC000455937373 822753319 /nfs/dbraw/zinc/75/33/19/822753319.db2.gz SIHJFEGFINVWJR-UXHICEINSA-N 2 0 384.524 4.033 20 0 GIADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cc(Br)ccc2O)c1 ZINC000185352173 822769809 /nfs/dbraw/zinc/76/98/09/822769809.db2.gz JMJZMEYFKUACMW-CQSZACIVSA-N 2 0 377.326 4.457 20 0 GIADRP C[C@@H]([NH2+]CCOc1ccccc1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185768796 822819579 /nfs/dbraw/zinc/81/95/79/822819579.db2.gz QIMHUDGQHOKTOY-HZPDHXFCSA-N 2 0 381.358 4.071 20 0 GIADRP CC(C)c1nccn1Cc1cccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000175217434 822906911 /nfs/dbraw/zinc/90/69/11/822906911.db2.gz DQLBLMJRYCQTJT-SEJPIABJSA-N 2 0 395.551 4.192 20 0 GIADRP CCOc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)CCO2 ZINC000186693521 822938764 /nfs/dbraw/zinc/93/87/64/822938764.db2.gz KDCJQGDOFLJAEW-VGSWGCGISA-N 2 0 384.520 4.200 20 0 GIADRP [NH3+][C@H](CCC(=O)Nc1ccccc1CN1CCSCC1)CC1CCCCC1 ZINC000569728252 822959636 /nfs/dbraw/zinc/95/96/36/822959636.db2.gz RNPUJWJFYIWMFW-HXUWFJFHSA-N 2 0 389.609 4.252 20 0 GIADRP COCCOc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000569746774 822962765 /nfs/dbraw/zinc/96/27/65/822962765.db2.gz FJUTZKWTAMWHIN-QHCPKHFHSA-N 2 0 382.548 4.104 20 0 GIADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cscc1C(F)(F)F ZINC000570369723 823030270 /nfs/dbraw/zinc/03/02/70/823030270.db2.gz XUTGOVOLHCDCRI-KRWDZBQOSA-N 2 0 384.467 4.013 20 0 GIADRP C[C@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)C1CCSCC1 ZINC000187277981 823035917 /nfs/dbraw/zinc/03/59/17/823035917.db2.gz OOJPVKFSRKVNJI-IBGZPJMESA-N 2 0 376.610 4.179 20 0 GIADRP C[C@@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000177937824 823548533 /nfs/dbraw/zinc/54/85/33/823548533.db2.gz MHYMIJDTZXNTMJ-MZNJEOGPSA-N 2 0 396.531 4.200 20 0 GIADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2Cl)c1 ZINC000123956623 823555198 /nfs/dbraw/zinc/55/51/98/823555198.db2.gz WSSJDRSUVZPVFA-INIZCTEOSA-N 2 0 383.927 4.223 20 0 GIADRP CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411262638 823560932 /nfs/dbraw/zinc/56/09/32/823560932.db2.gz HVHWCXPZCUJVSZ-JOCHJYFZSA-N 2 0 385.596 4.047 20 0 GIADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@H]1C ZINC000411303834 823563602 /nfs/dbraw/zinc/56/36/02/823563602.db2.gz HNENUMCDVPQNJU-OFNKIYASSA-N 2 0 393.575 4.087 20 0 GIADRP O=C(NC1CCCCC1)C1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411345618 823565549 /nfs/dbraw/zinc/56/55/49/823565549.db2.gz BPQFBPNYZYYEQM-UHFFFAOYSA-N 2 0 397.607 4.333 20 0 GIADRP COc1ccc(OC)c(C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)c1 ZINC000061000065 823571922 /nfs/dbraw/zinc/57/19/22/823571922.db2.gz UPDSROOZACNWIJ-OALUTQOASA-N 2 0 382.548 4.472 20 0 GIADRP O=C1CCCN1C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000411449930 823575712 /nfs/dbraw/zinc/57/57/12/823575712.db2.gz SMPSLHLDLYPSQS-XMMPIXPASA-N 2 0 391.559 4.126 20 0 GIADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)Nc1ccccc1Cl ZINC000411553276 823587757 /nfs/dbraw/zinc/58/77/57/823587757.db2.gz QVUPQYZEWFBSEU-FXAWDEMLSA-N 2 0 385.939 4.169 20 0 GIADRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1nc(-c2ccccc2)cs1 ZINC000124767686 823624644 /nfs/dbraw/zinc/62/46/44/823624644.db2.gz LOSPUNKGJZPDPW-IBGZPJMESA-N 2 0 398.620 4.411 20 0 GIADRP O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000461473641 823643959 /nfs/dbraw/zinc/64/39/59/823643959.db2.gz VDTRNRIEMBMKTE-DHIUTWEWSA-N 2 0 397.607 4.060 20 0 GIADRP Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000191070238 823644877 /nfs/dbraw/zinc/64/48/77/823644877.db2.gz VODQUEROUZREPL-NRFANRHFSA-N 2 0 392.465 4.260 20 0 GIADRP FC(F)(F)CN1CCC([NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000125060510 823649000 /nfs/dbraw/zinc/64/90/00/823649000.db2.gz FYYWRCDVECBEIO-UHFFFAOYSA-N 2 0 383.502 4.179 20 0 GIADRP Cc1c([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cnn1C(C)C ZINC000191268643 823665540 /nfs/dbraw/zinc/66/55/40/823665540.db2.gz KKLKIMUHFDFHER-IAGOWNOFSA-N 2 0 387.547 4.075 20 0 GIADRP CC[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc(Cl)s1 ZINC000163542964 823719245 /nfs/dbraw/zinc/71/92/45/823719245.db2.gz NDLPRKIKODFNOL-OAHLLOKOSA-N 2 0 386.005 4.069 20 0 GIADRP C(=C/C[NH+]1CCC(c2ccncc2)CC1)\C[NH+]1CCC(c2ccncc2)CC1 ZINC000191643293 823722536 /nfs/dbraw/zinc/72/25/36/823722536.db2.gz JSOQYULEMAWMQR-OWOJBTEDSA-N 2 0 376.548 4.092 20 0 GIADRP CC(C)C[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000461888760 823739608 /nfs/dbraw/zinc/73/96/08/823739608.db2.gz LXICBAGHSYOWJL-IBGZPJMESA-N 2 0 386.411 4.178 20 0 GIADRP CC(C)C[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000461888761 823739915 /nfs/dbraw/zinc/73/99/15/823739915.db2.gz LXICBAGHSYOWJL-LJQANCHMSA-N 2 0 386.411 4.178 20 0 GIADRP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000126016586 823767333 /nfs/dbraw/zinc/76/73/33/823767333.db2.gz CWCFIWSJPCPCCC-DYESRHJHSA-N 2 0 394.625 4.420 20 0 GIADRP COc1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c(-c2ccccc2)cc1OC ZINC000574637947 823787422 /nfs/dbraw/zinc/78/74/22/823787422.db2.gz VGXWFFMLJDJRIU-QFIPXVFZSA-N 2 0 380.532 4.335 20 0 GIADRP CN1CC[NH+](CC2CC[NH+](Cc3ccc(Oc4cccc(F)c4)cc3)CC2)CC1 ZINC000574677457 823797993 /nfs/dbraw/zinc/79/79/93/823797993.db2.gz FEMBKAXPGQZMOT-UHFFFAOYSA-N 2 0 397.538 4.077 20 0 GIADRP COCc1cc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)ccc1OC ZINC000165324974 823843985 /nfs/dbraw/zinc/84/39/85/823843985.db2.gz ZNQFBVCIPIZPSW-TZIWHRDSSA-N 2 0 382.548 4.057 20 0 GIADRP C[C@@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000165361458 823845715 /nfs/dbraw/zinc/84/57/15/823845715.db2.gz HSVAMSGXUMXWAW-LJQANCHMSA-N 2 0 399.554 4.081 20 0 GIADRP C[C@H](NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000165981544 823867342 /nfs/dbraw/zinc/86/73/42/823867342.db2.gz VRIRLCPIHQKAQT-RBBKRZOGSA-N 2 0 397.607 4.058 20 0 GIADRP Cc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000575007650 823885679 /nfs/dbraw/zinc/88/56/79/823885679.db2.gz JILZHXVVYKZISQ-DYESRHJHSA-N 2 0 399.604 4.339 20 0 GIADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000414171666 823922300 /nfs/dbraw/zinc/92/23/00/823922300.db2.gz DKBHCUKWQJMPOK-OLZOCXBDSA-N 2 0 378.410 4.272 20 0 GIADRP C[C@H]([NH2+][C@@H]1CCSc2ccccc21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000126688555 823927213 /nfs/dbraw/zinc/92/72/13/823927213.db2.gz KDLCBXYIOVSOTJ-OXJNMPFZSA-N 2 0 385.552 4.465 20 0 GIADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000414200368 823927619 /nfs/dbraw/zinc/92/76/19/823927619.db2.gz XUFYSKFDHNHZPQ-NSHGMRRFSA-N 2 0 378.532 4.156 20 0 GIADRP C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccnc(Cl)c1 ZINC000126718613 823934797 /nfs/dbraw/zinc/93/47/97/823934797.db2.gz ZSWHRQJMAMCCBC-GJZGRUSLSA-N 2 0 376.907 4.038 20 0 GIADRP CC[NH+]1CCC(CNC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)CC1 ZINC000575197863 823936201 /nfs/dbraw/zinc/93/62/01/823936201.db2.gz MOXNJWONVAVWJT-UHFFFAOYSA-N 2 0 386.584 4.305 20 0 GIADRP COc1ccc(C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)cc1Cl ZINC000462370562 823945596 /nfs/dbraw/zinc/94/55/96/823945596.db2.gz STNJFFGHRXOWRN-UHFFFAOYSA-N 2 0 387.955 4.041 20 0 GIADRP COc1ccc(Cl)cc1[C@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414296377 823953744 /nfs/dbraw/zinc/95/37/44/823953744.db2.gz FIWJUHXCZYMGOQ-KRWDZBQOSA-N 2 0 388.939 4.026 20 0 GIADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000414303365 823954269 /nfs/dbraw/zinc/95/42/69/823954269.db2.gz NUMFOKHWLNZVTE-UHFFFAOYSA-N 2 0 380.511 4.450 20 0 GIADRP c1csc(C[N@H+]2CCC[C@@H](CNC3CC[NH+](CCc4ccccc4)CC3)C2)c1 ZINC000126803351 823955237 /nfs/dbraw/zinc/95/52/37/823955237.db2.gz IFBSVAUJZFZWLM-QFIPXVFZSA-N 2 0 397.632 4.257 20 0 GIADRP CC(C)C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1cccs1 ZINC000414325577 823959009 /nfs/dbraw/zinc/95/90/09/823959009.db2.gz MJZFOACLNWFAHO-NRFANRHFSA-N 2 0 399.604 4.322 20 0 GIADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1cccc(C2CC2)c1 ZINC000414339788 823961208 /nfs/dbraw/zinc/96/12/08/823961208.db2.gz MAAHSRCUIFOFKD-SFHVURJKSA-N 2 0 391.559 4.112 20 0 GIADRP CCCCC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccc(Cl)cc1 ZINC000575599900 823978918 /nfs/dbraw/zinc/97/89/18/823978918.db2.gz PTNGSRGLRJSOQM-UHFFFAOYSA-N 2 0 394.003 4.321 20 0 GIADRP Cc1nn(-c2cccc(F)c2)cc1C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000414435656 823985506 /nfs/dbraw/zinc/98/55/06/823985506.db2.gz RBNXFMJCTYIQEF-UHFFFAOYSA-N 2 0 393.510 4.063 20 0 GIADRP C[C@@H](O)[C@](C)(C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000575785890 823995347 /nfs/dbraw/zinc/99/53/47/823995347.db2.gz ABHWMKFORJDQEU-JMLJLYKJSA-N 2 0 380.576 4.116 20 0 GIADRP C[N@H+](Cc1ccccc1NC(=O)NC[C@@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000414716684 824026177 /nfs/dbraw/zinc/02/61/77/824026177.db2.gz SNYFQXMAISHJLX-OAQYLSRUSA-N 2 0 380.536 4.273 20 0 GIADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000414806631 824037787 /nfs/dbraw/zinc/03/77/87/824037787.db2.gz HWWFDPFSXYPYLZ-KGLIPLIRSA-N 2 0 379.426 4.232 20 0 GIADRP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2cc(Br)ccc2OC(F)F)cc1 ZINC000414811228 824038161 /nfs/dbraw/zinc/03/81/61/824038161.db2.gz PITDHFSMVKHKDD-NSHDSACASA-N 2 0 385.252 4.360 20 0 GIADRP O=C(Nc1cccc(C[NH2+]C[C@H]2CCC[NH2+]C2)c1)c1ccc(Cl)cc1Cl ZINC000414841182 824040712 /nfs/dbraw/zinc/04/07/12/824040712.db2.gz YYKJFJDPHQMCPE-HNNXBMFYSA-N 2 0 392.330 4.335 20 0 GIADRP Cc1[nH+]c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cc2[nH]ccc21 ZINC001164840965 720707417 /nfs/dbraw/zinc/70/74/17/720707417.db2.gz TWVROOGPDFKJPB-FQEVSTJZSA-N 2 0 390.531 4.131 20 0 GIADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC(CCc4ccccc4)CC3)c2)CC1 ZINC001165044152 721940566 /nfs/dbraw/zinc/94/05/66/721940566.db2.gz KRMYWMHXVHQPJM-UHFFFAOYSA-N 2 0 379.548 4.404 20 0 GIADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2cscc2C(F)(F)F)CC1 ZINC000570488055 823045094 /nfs/dbraw/zinc/04/50/94/823045094.db2.gz JGCWPAUFMMAXRN-UHFFFAOYSA-N 2 0 397.510 4.194 20 0 GIADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H](O)c1ccc(F)cc1Cl ZINC000187395146 823055362 /nfs/dbraw/zinc/05/53/62/823055362.db2.gz YEPALFFAONCNAB-OAQYLSRUSA-N 2 0 391.918 4.146 20 0 GIADRP C/C(=C\c1ccccc1OC(F)F)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000570612356 823062258 /nfs/dbraw/zinc/06/22/58/823062258.db2.gz YBVIBEILZGNSGJ-FBMGVBCBSA-N 2 0 394.506 4.268 20 0 GIADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000120832651 823073537 /nfs/dbraw/zinc/07/35/37/823073537.db2.gz QEQAZRMALDXXLS-RBUKOAKNSA-N 2 0 385.527 4.152 20 0 GIADRP COc1cc(OC)c([C@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cc1Cl ZINC000120963106 823093830 /nfs/dbraw/zinc/09/38/30/823093830.db2.gz SQNJEDRQVGNMTA-ZDUSSCGKSA-N 2 0 380.891 4.409 20 0 GIADRP CCC(CC)[C@H](NC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1)c1ccccc1 ZINC000570939045 823110122 /nfs/dbraw/zinc/11/01/22/823110122.db2.gz CFMLAMKMUWGZIB-DEOSSOPVSA-N 2 0 399.623 4.476 20 0 GIADRP CCC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccsc1 ZINC000187710653 823117850 /nfs/dbraw/zinc/11/78/50/823117850.db2.gz SFTQQTXXQUCVJW-FPOVZHCZSA-N 2 0 385.577 4.076 20 0 GIADRP CN(CC[N@H+](C)Cc1ccc(F)c(-c2cccs2)c1)C1CC[NH+](C)CC1 ZINC000571207875 823148714 /nfs/dbraw/zinc/14/87/14/823148714.db2.gz LHZSRJCMGLPPOA-UHFFFAOYSA-N 2 0 375.557 4.012 20 0 GIADRP COc1cc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)ccc1OC1CCCC1 ZINC000459379487 823177806 /nfs/dbraw/zinc/17/78/06/823177806.db2.gz SDCBPVKVOUUABQ-UHFFFAOYSA-N 2 0 381.520 4.170 20 0 GIADRP CC(C)(C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(Br)cc1 ZINC000459380713 823177933 /nfs/dbraw/zinc/17/79/33/823177933.db2.gz UFSIFAUNCHWHMW-UHFFFAOYSA-N 2 0 388.353 4.380 20 0 GIADRP Cc1nc2scc(C3CC3)n2c1C[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000459401905 823184789 /nfs/dbraw/zinc/18/47/89/823184789.db2.gz JENYVFMSUUFTRZ-UHFFFAOYSA-N 2 0 398.576 4.202 20 0 GIADRP Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459522528 823210669 /nfs/dbraw/zinc/21/06/69/823210669.db2.gz IMOLLTBQDJDVKR-GOSISDBHSA-N 2 0 380.561 4.193 20 0 GIADRP Clc1ccc([C@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)OCC2CC2)cc1 ZINC000459541280 823216025 /nfs/dbraw/zinc/21/60/25/823216025.db2.gz HTPCMXXKEVWRFX-QFIPXVFZSA-N 2 0 385.939 4.461 20 0 GIADRP COC1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCC(c2ccccc2)CC1 ZINC000459568677 823222340 /nfs/dbraw/zinc/22/23/40/823222340.db2.gz XOFZIEOCPPVGNT-UHFFFAOYSA-N 2 0 379.548 4.383 20 0 GIADRP CC1(C)C[N@H+](Cc2cnc(C3CC3)nc2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459570703 823222670 /nfs/dbraw/zinc/22/26/70/823222670.db2.gz NIOFNMCGBXXUTA-HSZRJFAPSA-N 2 0 390.575 4.477 20 0 GIADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000571721287 823224809 /nfs/dbraw/zinc/22/48/09/823224809.db2.gz GZRGFCRWMUVHMA-UKILVPOCSA-N 2 0 399.623 4.057 20 0 GIADRP Clc1cccc(CC[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000459593628 823226655 /nfs/dbraw/zinc/22/66/55/823226655.db2.gz QMJHESAAOUDURF-QFIPXVFZSA-N 2 0 398.978 4.401 20 0 GIADRP C[C@H]([NH2+]C/C=C\C[NH2+][C@@H](C)c1nc2c(s1)CCC2)c1nc2c(s1)CCC2 ZINC000459634774 823234041 /nfs/dbraw/zinc/23/40/41/823234041.db2.gz RXXMZBOKTBUWOU-NMEQGOOXSA-N 2 0 388.606 4.135 20 0 GIADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3ccc(OC)c(OC)c3C)CC2)cc1 ZINC000572399689 823332801 /nfs/dbraw/zinc/33/28/01/823332801.db2.gz VIKYKQPERCTLKT-UHFFFAOYSA-N 2 0 398.547 4.023 20 0 GIADRP CCCC[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000460352039 823361117 /nfs/dbraw/zinc/36/11/17/823361117.db2.gz UYGIHQOONBCXKM-KJXAQDMKSA-N 2 0 385.596 4.104 20 0 GIADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[C@@H](Cc4ccccc4)C3)cc2)CC1 ZINC000189161372 823367806 /nfs/dbraw/zinc/36/78/06/823367806.db2.gz FHKFWYSFXSHBEJ-BJKOFHAPSA-N 2 0 378.560 4.144 20 0 GIADRP CCC[NH+]1CCC(C[NH2+][C@H](C)CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000122680093 823393180 /nfs/dbraw/zinc/39/31/80/823393180.db2.gz RAPJHEUGDGHBRL-OAHLLOKOSA-N 2 0 385.474 4.134 20 0 GIADRP CCOc1ccc(NC(=O)[C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000028899303 820369134 /nfs/dbraw/zinc/36/91/34/820369134.db2.gz MNPUDAXOQOACNX-IBGZPJMESA-N 2 0 395.547 4.188 20 0 GIADRP Cc1cccc(C)c1NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000028899487 820370134 /nfs/dbraw/zinc/37/01/34/820370134.db2.gz ISCLXUHMAUPZQV-FQEVSTJZSA-N 2 0 379.548 4.406 20 0 GIADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)n1 ZINC000123494391 823514310 /nfs/dbraw/zinc/51/43/10/823514310.db2.gz JEAFYCFBMLAKGK-FQEVSTJZSA-N 2 0 392.547 4.280 20 0 GIADRP C[C@@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000180690811 821397059 /nfs/dbraw/zinc/39/70/59/821397059.db2.gz VGEBFBGQDYMNHF-QRWLVFNGSA-N 2 0 396.453 4.030 20 0 GIADRP C[NH+](C)C1CCN(CC[NH2+][C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC000180711825 821410838 /nfs/dbraw/zinc/41/08/38/821410838.db2.gz SMOSLNPBDFAVMQ-QFIPXVFZSA-N 2 0 389.946 4.184 20 0 GIADRP CC1(C)C[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c2ccccc21 ZINC000180975296 821567406 /nfs/dbraw/zinc/56/74/06/821567406.db2.gz KLQLSMMSJJWSDL-QHCPKHFHSA-N 2 0 391.559 4.024 20 0 GIADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H](c2cccs2)C2CCCC2)cc1 ZINC000180995536 821582313 /nfs/dbraw/zinc/58/23/13/821582313.db2.gz YKXPQMYURUVOPU-NRFANRHFSA-N 2 0 385.577 4.061 20 0 GIADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(Cl)cc1Cl ZINC000180997883 821583594 /nfs/dbraw/zinc/58/35/94/821583594.db2.gz NZEPREOWNGQUMP-CQSZACIVSA-N 2 0 394.346 4.136 20 0 GIADRP Cc1cc2cc([C@@H](C)[NH2+]Cc3ccc(C(=O)NCC[NH+](C)C)cc3)oc2cc1C ZINC000180999146 821584143 /nfs/dbraw/zinc/58/41/43/821584143.db2.gz CGMHLXHVFYLQGV-GOSISDBHSA-N 2 0 393.531 4.192 20 0 GIADRP CC[C@@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1cc(F)cc(Br)c1 ZINC000181660443 821928393 /nfs/dbraw/zinc/92/83/93/821928393.db2.gz DLNLHFQEFCCQSA-GOSISDBHSA-N 2 0 387.337 4.130 20 0 GIADRP CCOc1cccc2cc([C@@H](C)[NH2+]Cc3ccnc(OCC[NH+](C)C)c3)oc21 ZINC000182090841 822089951 /nfs/dbraw/zinc/08/99/51/822089951.db2.gz DNBGYEINZKSENN-MRXNPFEDSA-N 2 0 383.492 4.018 20 0 GIADRP CC(=O)Nc1ccc([C@H](C)[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000182122011 822103494 /nfs/dbraw/zinc/10/34/94/822103494.db2.gz BELRUTIFCZEOQW-QRVBRYPASA-N 2 0 379.548 4.452 20 0 GIADRP COc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)OCO3)cc1C[NH+]1CCCCC1 ZINC000182192411 822140247 /nfs/dbraw/zinc/14/02/47/822140247.db2.gz FRRYKPQZAOXAEE-QGZVFWFLSA-N 2 0 382.504 4.261 20 0 GIADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccccc1OC(F)F ZINC000182225293 822155865 /nfs/dbraw/zinc/15/58/65/822155865.db2.gz XCLPUOKQNHFZFQ-QFBILLFUSA-N 2 0 390.474 4.096 20 0 GIADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000182230211 822157588 /nfs/dbraw/zinc/15/75/88/822157588.db2.gz PWGIKVMNENHITL-CTNGQTDRSA-N 2 0 386.536 4.109 20 0 GIADRP CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000182247403 822166726 /nfs/dbraw/zinc/16/67/26/822166726.db2.gz ZVVZLCXGSPPWAP-AUSIDOKSSA-N 2 0 382.548 4.281 20 0 GIADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)C1 ZINC000182262463 822175992 /nfs/dbraw/zinc/17/59/92/822175992.db2.gz JKJAVRGBPKBFEN-AZUAARDMSA-N 2 0 388.964 4.233 20 0 GIADRP COc1cc([C@H](C)[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)cc(OC)c1OC ZINC000177977668 822266645 /nfs/dbraw/zinc/26/66/45/822266645.db2.gz ZZOUCHVTBKKKLA-KRWDZBQOSA-N 2 0 386.536 4.403 20 0 GIADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)c1 ZINC000177977112 822266830 /nfs/dbraw/zinc/26/68/30/822266830.db2.gz QMSIJVSLDBCKGA-GOSISDBHSA-N 2 0 381.520 4.334 20 0 GIADRP COc1cc(C)c([C@H](C)[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1OC ZINC000178036874 822292815 /nfs/dbraw/zinc/29/28/15/822292815.db2.gz OXJQKMRSVAFTKZ-MSOLQXFVSA-N 2 0 386.536 4.364 20 0 GIADRP Cc1nc(C)c([C@H](C)[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)s1 ZINC000178211536 822353677 /nfs/dbraw/zinc/35/36/77/822353677.db2.gz NTCMJCNUHRLZHU-SFHVURJKSA-N 2 0 386.609 4.009 20 0 GIADRP COc1ccc(C[NH2+][C@@H](C)c2ccc(OC)c(C[NH+]3CCCCC3)c2)cc1O ZINC000182747474 822361797 /nfs/dbraw/zinc/36/17/97/822361797.db2.gz WZFXKVSHSCTHCY-KRWDZBQOSA-N 2 0 384.520 4.246 20 0 GIADRP COc1ccc([C@H](C)[NH2+]C[C@@H](C)Cn2ccnc2C)cc1C[NH+]1CCCCC1 ZINC000182825815 822373934 /nfs/dbraw/zinc/37/39/34/822373934.db2.gz MSRBXANKMWHZLL-MOPGFXCFSA-N 2 0 384.568 4.173 20 0 GIADRP COc1cccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(OC)c(C[NH+]3CCCCC3)c2)c1 ZINC000182944038 822397504 /nfs/dbraw/zinc/39/75/04/822397504.db2.gz UYNVOQPOZTZMEC-MBSDFSHPSA-N 2 0 398.547 4.074 20 0 GIADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C[C@](C)(O)c2cccs2)ccc1OC ZINC000183006451 822410125 /nfs/dbraw/zinc/41/01/25/822410125.db2.gz NPLNYOLWHBVMFS-KKSFZXQISA-N 2 0 376.566 4.157 20 0 GIADRP COc1ccc([C@@H](C)[NH2+]C[C@](C)(O)c2ccsc2)cc1C[NH+]1CCCCC1 ZINC000183011127 822410909 /nfs/dbraw/zinc/41/09/09/822410909.db2.gz XMQARUXLAQPRND-VGSWGCGISA-N 2 0 388.577 4.301 20 0 GIADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@@H](C)Cc2c(C)nn(C)c2C)ccc1OC ZINC000183029504 822414086 /nfs/dbraw/zinc/41/40/86/822414086.db2.gz DRGPJAIPECPGND-DLBZAZTESA-N 2 0 386.584 4.169 20 0 GIADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@H](C)Cc2c(C)nn(C)c2C)ccc1OC ZINC000183029542 822414227 /nfs/dbraw/zinc/41/42/27/822414227.db2.gz DRGPJAIPECPGND-IAGOWNOFSA-N 2 0 386.584 4.169 20 0 GIADRP COc1ccc([C@H](C)[NH2+][C@H](C)C[C@H](O)c2ccco2)cc1C[NH+]1CCCCC1 ZINC000183146726 822431032 /nfs/dbraw/zinc/43/10/32/822431032.db2.gz GTQIIDMTQRWLAD-LQWHRVPQSA-N 2 0 386.536 4.437 20 0 GIADRP CC[NH+](CC)Cc1cc([C@H](C)NC2CC[NH+](C(C)(C)C)CC2)ccc1OC ZINC000183179127 822436332 /nfs/dbraw/zinc/43/63/32/822436332.db2.gz DXDWIIRQENHUDD-SFHVURJKSA-N 2 0 375.601 4.451 20 0 GIADRP CC(C)c1ccccc1NC(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179390973 822475763 /nfs/dbraw/zinc/47/57/63/822475763.db2.gz JMTQNHIBNQLWBJ-UHFFFAOYSA-N 2 0 394.563 4.382 20 0 GIADRP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179391585 822476135 /nfs/dbraw/zinc/47/61/35/822476135.db2.gz HALNBGJJXAYPMU-FQEVSTJZSA-N 2 0 394.563 4.264 20 0 GIADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1OC(F)F ZINC000179467588 822487049 /nfs/dbraw/zinc/48/70/49/822487049.db2.gz WCJJNVYBFOZGCI-AWEZNQCLSA-N 2 0 379.426 4.389 20 0 GIADRP CN(c1ccccc1C[NH2+]Cc1cc(Cl)cc2c1OCC2)C1CC[NH+](C)CC1 ZINC000184137732 822584537 /nfs/dbraw/zinc/58/45/37/822584537.db2.gz AZIWQTSLMHKHBR-UHFFFAOYSA-N 2 0 399.966 4.095 20 0 GIADRP Fc1cc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c2c(c1)COCO2 ZINC000180134605 822623163 /nfs/dbraw/zinc/62/31/63/822623163.db2.gz GSWCFINABHRNKJ-NOTZXAQLSA-N 2 0 396.506 4.020 20 0 GIADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1nc2ccc(Cl)cc2n1C ZINC000180158991 822629447 /nfs/dbraw/zinc/62/94/47/822629447.db2.gz NUUPQWNDKMAPLG-OAHLLOKOSA-N 2 0 383.927 4.189 20 0 GIADRP Cn1cc([C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c2cccc(F)c2)cn1 ZINC000180235637 822645476 /nfs/dbraw/zinc/64/54/76/822645476.db2.gz PBUCWJYNMOPODS-XMMPIXPASA-N 2 0 392.522 4.150 20 0 GIADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1 ZINC000048745017 822680779 /nfs/dbraw/zinc/68/07/79/822680779.db2.gz NBJTVHRLIFCRNV-SFHVURJKSA-N 2 0 378.495 4.110 20 0 GIADRP C[C@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2c[nH]nc2-c2cccs2)C[C@H](C)O1 ZINC000048816667 822684184 /nfs/dbraw/zinc/68/41/84/822684184.db2.gz YNJNHUOPJZCXTC-IRXDYDNUSA-N 2 0 396.560 4.037 20 0 GIADRP C[C@@H](NCc1cccc(SC(=O)N(C)C)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180464314 822686786 /nfs/dbraw/zinc/68/67/86/822686786.db2.gz NSZUDDLNJLVYQC-SJLPKXTDSA-N 2 0 375.582 4.203 20 0 GIADRP C[C@H]([NH2+]Cc1sccc1Br)c1ccc(OCC[NH+](C)C)cc1 ZINC000180479973 822688792 /nfs/dbraw/zinc/68/87/92/822688792.db2.gz PDOONXJFERQAOM-ZDUSSCGKSA-N 2 0 383.355 4.302 20 0 GIADRP C[C@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000455858219 822738218 /nfs/dbraw/zinc/73/82/18/822738218.db2.gz PBYICVMYBATVOW-CECAUBDESA-N 2 0 384.568 4.010 20 0 GIADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)ccc21 ZINC000455880823 822741687 /nfs/dbraw/zinc/74/16/87/822741687.db2.gz SGNMPPKEBPRIMF-SFTDATJTSA-N 2 0 396.535 4.177 20 0 GIADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000455905320 822746058 /nfs/dbraw/zinc/74/60/58/822746058.db2.gz HFJDOSZIQNYJMA-JBYIUTFZSA-N 2 0 386.584 4.115 20 0 GIADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NCc3cccc(C[NH+]4CCCC4)c3)ccc21 ZINC000455948822 822756393 /nfs/dbraw/zinc/75/63/93/822756393.db2.gz YKIGPHCEPUKDIN-QHCPKHFHSA-N 2 0 392.547 4.153 20 0 GIADRP COc1cc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)cc(OC)c1 ZINC000174451121 822791630 /nfs/dbraw/zinc/79/16/30/822791630.db2.gz JRUAYBOGDYULRB-UHFFFAOYSA-N 2 0 380.488 4.219 20 0 GIADRP COc1cccc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)c1OC ZINC000174452131 822791688 /nfs/dbraw/zinc/79/16/88/822791688.db2.gz VMOSWKFGQRYLTG-UHFFFAOYSA-N 2 0 380.488 4.219 20 0 GIADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3C(F)(F)F)ccc21 ZINC000456309111 822796936 /nfs/dbraw/zinc/79/69/36/822796936.db2.gz JJPYLZZBJLZCDF-KZNAEPCWSA-N 2 0 397.485 4.083 20 0 GIADRP C[C@@H]([NH2+]CCCCC[NH2+][C@@H](C)[C@@H]1COc2ccccc21)[C@@H]1COc2ccccc21 ZINC000185596078 822800487 /nfs/dbraw/zinc/80/04/87/822800487.db2.gz TUZHOHRDUDKATP-YDLSIGKMSA-N 2 0 394.559 4.465 20 0 GIADRP COc1ccsc1[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000186154340 822856373 /nfs/dbraw/zinc/85/63/73/822856373.db2.gz YYHAHBAKXCLWND-LSDHHAIUSA-N 2 0 377.529 4.059 20 0 GIADRP Cc1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc(C)c1OCc1ccccn1 ZINC000569003226 822868849 /nfs/dbraw/zinc/86/88/49/822868849.db2.gz KCAMPINJHMAIAF-VXKWHMMOSA-N 2 0 379.548 4.099 20 0 GIADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2cc3cc(C)c(C)cc3o2)CC1 ZINC000569052315 822874205 /nfs/dbraw/zinc/87/42/05/822874205.db2.gz JNXWHXTUUUHPGH-UHFFFAOYSA-N 2 0 399.579 4.110 20 0 GIADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)CC[N@@H+]1Cc1ccccc1 ZINC000186393454 822886928 /nfs/dbraw/zinc/88/69/28/822886928.db2.gz VIQDSFCZZKJYBP-AVRDEDQJSA-N 2 0 380.532 4.474 20 0 GIADRP COc1cccc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1OC ZINC000569312428 822905935 /nfs/dbraw/zinc/90/59/35/822905935.db2.gz IGQXXSXALDLKSI-DKUWSORSSA-N 2 0 380.532 4.032 20 0 GIADRP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186591172 822919239 /nfs/dbraw/zinc/91/92/39/822919239.db2.gz HZUOWZGPZNMPMZ-ZWKOTPCHSA-N 2 0 386.609 4.104 20 0 GIADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)c3cccnc23)[C@H](C)C1 ZINC000187010846 822997276 /nfs/dbraw/zinc/99/72/76/822997276.db2.gz BIIRSYCOLHSIQR-OXQOHEQNSA-N 2 0 375.944 4.115 20 0 GIADRP CCOC(=O)C1(C)CCC([NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000570322598 823025785 /nfs/dbraw/zinc/02/57/85/823025785.db2.gz DHUPJYKPBXOVNT-ZLHNRXBCSA-N 2 0 386.580 4.390 20 0 GIADRP O=C(c1ccccc1)N1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411149278 823551857 /nfs/dbraw/zinc/55/18/57/823551857.db2.gz QCUWCWHXDBLMTM-UHFFFAOYSA-N 2 0 391.559 4.021 20 0 GIADRP CC1CCN(C(=O)C2CC[NH+](Cc3cccc(C[NH+]4CCCCC4)c3)CC2)CC1 ZINC000411171621 823554160 /nfs/dbraw/zinc/55/41/60/823554160.db2.gz JHWQHLKCWQLMRT-UHFFFAOYSA-N 2 0 397.607 4.143 20 0 GIADRP O=C(c1ccsc1)N1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411187757 823555492 /nfs/dbraw/zinc/55/54/92/823555492.db2.gz QHKKOYSZYWUGGM-UHFFFAOYSA-N 2 0 397.588 4.082 20 0 GIADRP CCCCCC(=O)NC1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411216786 823557849 /nfs/dbraw/zinc/55/78/49/823557849.db2.gz FWMRQFTYFCRVMX-UHFFFAOYSA-N 2 0 385.596 4.333 20 0 GIADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)C2)CC1 ZINC000411248282 823560386 /nfs/dbraw/zinc/56/03/86/823560386.db2.gz ATHWVXUHVXUKAX-PKTZIBPZSA-N 2 0 383.967 4.141 20 0 GIADRP CCC[NH+]1CCC([N@H+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000411308155 823563821 /nfs/dbraw/zinc/56/38/21/823563821.db2.gz OKVHNQWVFFPNIP-UHFFFAOYSA-N 2 0 393.575 4.089 20 0 GIADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3csc4ccccc34)cc2)CC1 ZINC000061070183 823576780 /nfs/dbraw/zinc/57/67/80/823576780.db2.gz GDQYTOCCFFELQH-UHFFFAOYSA-N 2 0 379.573 4.329 20 0 GIADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)Nc1ccccc1Cl ZINC000411553279 823587730 /nfs/dbraw/zinc/58/77/30/823587730.db2.gz QVUPQYZEWFBSEU-YLJYHZDGSA-N 2 0 385.939 4.169 20 0 GIADRP Cc1noc(C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)c2ccccc2)n1 ZINC000411634198 823592628 /nfs/dbraw/zinc/59/26/28/823592628.db2.gz KWVYUDHITPUYNH-QHCPKHFHSA-N 2 0 390.531 4.438 20 0 GIADRP Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411688792 823596967 /nfs/dbraw/zinc/59/69/67/823596967.db2.gz DDIQTXSTFCIOPJ-NOTZXAQLSA-N 2 0 378.564 4.317 20 0 GIADRP COc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1F ZINC000124597410 823609757 /nfs/dbraw/zinc/60/97/57/823609757.db2.gz DBPUWYTWSKYCFT-KSZLIROESA-N 2 0 386.511 4.294 20 0 GIADRP Cc1nc2c(s1)[C@@H]([NH2+]Cc1ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc1)CCC2 ZINC000124632901 823612830 /nfs/dbraw/zinc/61/28/30/823612830.db2.gz MTPURZHOVGMUIY-YRNRMSPPSA-N 2 0 385.577 4.228 20 0 GIADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)c1ccc(-n2cncn2)cc1 ZINC000125122964 823653039 /nfs/dbraw/zinc/65/30/39/823653039.db2.gz GCJMBKDNWKEXCQ-HXUWFJFHSA-N 2 0 389.547 4.494 20 0 GIADRP Cc1c([C@@H](C)[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)cnn1C(C)(C)C ZINC000191214606 823659752 /nfs/dbraw/zinc/65/97/52/823659752.db2.gz LKMHWCYZGLKRQD-HXUWFJFHSA-N 2 0 397.611 4.200 20 0 GIADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1csc(Cl)c1 ZINC000191368655 823677476 /nfs/dbraw/zinc/67/74/76/823677476.db2.gz GKWBPJLGMHIRGU-HNNXBMFYSA-N 2 0 391.968 4.078 20 0 GIADRP CCCOc1ccc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000063551819 823679105 /nfs/dbraw/zinc/67/91/05/823679105.db2.gz HEALEZIFQCTUON-UHFFFAOYSA-N 2 0 382.548 4.486 20 0 GIADRP CN1CC[NH+](CC2CC[NH+](Cc3ccc(-c4cccc(F)c4)s3)CC2)CC1 ZINC000574366028 823710411 /nfs/dbraw/zinc/71/04/11/823710411.db2.gz NNSIXTUUGVVIGZ-UHFFFAOYSA-N 2 0 387.568 4.014 20 0 GIADRP CC1(C(=O)NCCCCC[NH+]2CCCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000163458236 823711445 /nfs/dbraw/zinc/71/14/45/823711445.db2.gz UBTMSJKLQFSJLF-UHFFFAOYSA-N 2 0 385.596 4.061 20 0 GIADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000163788150 823748933 /nfs/dbraw/zinc/74/89/33/823748933.db2.gz UYGHJUNRRICZMI-UHFFFAOYSA-N 2 0 391.559 4.451 20 0 GIADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(N2CCOC2=O)c1 ZINC000163922551 823761704 /nfs/dbraw/zinc/76/17/04/823761704.db2.gz QHEVFLOMHLVIAO-LJQANCHMSA-N 2 0 393.531 4.480 20 0 GIADRP Cc1cccc([C@@H](C)[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c1 ZINC000163973734 823767278 /nfs/dbraw/zinc/76/72/78/823767278.db2.gz DPECGAFBZJLNOI-HXUWFJFHSA-N 2 0 382.548 4.335 20 0 GIADRP COc1cc([C@H](C)[NH2+][C@@H](C)C2CC[NH+](C)CC2)ccc1OCc1ccncc1 ZINC000164070163 823775102 /nfs/dbraw/zinc/77/51/02/823775102.db2.gz OVVVJONYYNDHGD-ROUUACIJSA-N 2 0 383.536 4.050 20 0 GIADRP COc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(-c2ccccc2)cc1OC ZINC000574637942 823787512 /nfs/dbraw/zinc/78/75/12/823787512.db2.gz VGXWFFMLJDJRIU-JOCHJYFZSA-N 2 0 380.532 4.335 20 0 GIADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000574728369 823811759 /nfs/dbraw/zinc/81/17/59/823811759.db2.gz NJKRREFLVOQBOG-ZWKOTPCHSA-N 2 0 387.518 4.166 20 0 GIADRP COc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1OC ZINC000165297000 823842462 /nfs/dbraw/zinc/84/24/62/823842462.db2.gz KXPAZUWKPQIKQG-CTNGQTDRSA-N 2 0 382.548 4.227 20 0 GIADRP c1cc2c(s1)CCN([C@@H](C[NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)c1ccccc1)C2 ZINC000166172421 823871473 /nfs/dbraw/zinc/87/14/73/823871473.db2.gz VZYBKSMJNMVHHY-BDTNDASRSA-N 2 0 381.589 4.064 20 0 GIADRP c1cnn(Cc2ccc(-c3ccccc3C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)c1 ZINC000166466782 823877790 /nfs/dbraw/zinc/87/77/90/823877790.db2.gz WELITOZONCIFDQ-BJKOFHAPSA-N 2 0 386.543 4.315 20 0 GIADRP COc1cc(F)c([C@H](C)[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1OC ZINC000168558359 823903738 /nfs/dbraw/zinc/90/37/38/823903738.db2.gz FCJIUAVFGBNVRF-CVEARBPZSA-N 2 0 390.499 4.195 20 0 GIADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414087761 823906722 /nfs/dbraw/zinc/90/67/22/823906722.db2.gz IQMKFPNHNACWAH-HLRQEUIKSA-N 2 0 376.972 4.334 20 0 GIADRP C[C@H]([NH2+][C@H]1CCSc2ccccc21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000126689049 823927705 /nfs/dbraw/zinc/92/77/05/823927705.db2.gz KDLCBXYIOVSOTJ-JXFKEZNVSA-N 2 0 385.552 4.465 20 0 GIADRP CC(C)Oc1ccc([C@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cc1 ZINC000126719141 823934586 /nfs/dbraw/zinc/93/45/86/823934586.db2.gz DGYKYBGKTNUOJD-FQEVSTJZSA-N 2 0 381.564 4.072 20 0 GIADRP COc1ccc([C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C(C)C)cc1 ZINC000414311847 823955536 /nfs/dbraw/zinc/95/55/36/823955536.db2.gz VQYAAZGWIJOCPY-QHCPKHFHSA-N 2 0 382.548 4.009 20 0 GIADRP CCCC[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccccc1 ZINC000414326064 823958660 /nfs/dbraw/zinc/95/86/60/823958660.db2.gz NEOVGLAEWZOQOQ-DEOSSOPVSA-N 2 0 393.575 4.405 20 0 GIADRP Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cc1C ZINC000414331266 823959767 /nfs/dbraw/zinc/95/97/67/823959767.db2.gz STPDMDXQVUEMIO-HXUWFJFHSA-N 2 0 393.575 4.160 20 0 GIADRP CN(CC[N@H+](C)Cc1ccc(-c2ccccc2F)s1)C1CC[NH+](C)CC1 ZINC000575368691 823963780 /nfs/dbraw/zinc/96/37/80/823963780.db2.gz PHWCYEURFYVGDE-UHFFFAOYSA-N 2 0 375.557 4.012 20 0 GIADRP C[N@H+](Cc1ccccc1NC(=O)N(CC[NH3+])Cc1ccccc1)C1CCCCC1 ZINC000414719586 824026471 /nfs/dbraw/zinc/02/64/71/824026471.db2.gz YXHPZEJEPYCTKM-UHFFFAOYSA-N 2 0 394.563 4.444 20 0 GIADRP CC(C)Oc1cc[nH+]c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164839791 720696011 /nfs/dbraw/zinc/69/60/11/720696011.db2.gz BVGPHEDZFZBTKT-OAQYLSRUSA-N 2 0 395.547 4.129 20 0 GIADRP Cc1ccc(C[NH+]2CCC3(CCN(c4cc(C[NH+](C)C)ccn4)CC3)CC2)cc1 ZINC001164759595 721046731 /nfs/dbraw/zinc/04/67/31/721046731.db2.gz PIRNUXVZCBDCAP-UHFFFAOYSA-N 2 0 392.591 4.334 20 0 GIADRP C[C@@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000120822989 823071526 /nfs/dbraw/zinc/07/15/26/823071526.db2.gz VAOOFNWLFCWUSB-YKSBVNFPSA-N 2 0 381.564 4.115 20 0 GIADRP C[C@H]([NH2+]Cc1ccccc1Br)c1cccc(OCC[NH+](C)C)c1 ZINC000120938233 823089770 /nfs/dbraw/zinc/08/97/70/823089770.db2.gz IHHZUHOXYGBAIR-HNNXBMFYSA-N 2 0 377.326 4.240 20 0 GIADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(-c2ccc(F)cc2)s1 ZINC000120946261 823091161 /nfs/dbraw/zinc/09/11/61/823091161.db2.gz XPTGKAIDQYJYRJ-DLBZAZTESA-N 2 0 375.557 4.088 20 0 GIADRP CSC1(C[NH2+][C@@H](C)c2cc(C)c(Br)s2)CC[NH+](C)CC1 ZINC000571009174 823119479 /nfs/dbraw/zinc/11/94/79/823119479.db2.gz HWNCZXMYEAMFSN-LBPRGKRZSA-N 2 0 377.417 4.297 20 0 GIADRP C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F)C[NH+]1CCCCC1 ZINC000121106702 823119758 /nfs/dbraw/zinc/11/97/58/823119758.db2.gz ZMFWRQMJPKOHSX-HOTGVXAUSA-N 2 0 385.474 4.134 20 0 GIADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(-c3ccccc3OC)cc2)CC1 ZINC000121184790 823134042 /nfs/dbraw/zinc/13/40/42/823134042.db2.gz RNSVPIWRBOYHBJ-SFTDATJTSA-N 2 0 395.591 4.286 20 0 GIADRP CC1CCN([C@@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c2ccccc2)CC1 ZINC000459371174 823174826 /nfs/dbraw/zinc/17/48/26/823174826.db2.gz JFBJEBPNSAYEBV-DEOSSOPVSA-N 2 0 378.564 4.113 20 0 GIADRP CCCOc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c(OC(F)F)c1 ZINC000459450988 823194569 /nfs/dbraw/zinc/19/45/69/823194569.db2.gz ZBLOJWHTMRXNRB-UHFFFAOYSA-N 2 0 391.462 4.230 20 0 GIADRP C[C@H]1C[N@H+](CCC[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)CCCO1 ZINC000571545046 823198387 /nfs/dbraw/zinc/19/83/87/823198387.db2.gz NURBCKLCEVIHIU-HNAYVOBHSA-N 2 0 386.458 4.127 20 0 GIADRP C[C@@H]1C[N@H+](CCC[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)CCCO1 ZINC000571545042 823198447 /nfs/dbraw/zinc/19/84/47/823198447.db2.gz NURBCKLCEVIHIU-BEFAXECRSA-N 2 0 386.458 4.127 20 0 GIADRP CCc1nnc(C[N@@H+]2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000459523907 823211073 /nfs/dbraw/zinc/21/10/73/823211073.db2.gz AAERDKLTTXISDG-NRFANRHFSA-N 2 0 382.552 4.289 20 0 GIADRP CC1(C)C[N@H+](Cc2cnc(C3CC3)nc2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459570705 823222653 /nfs/dbraw/zinc/22/26/53/823222653.db2.gz NIOFNMCGBXXUTA-QHCPKHFHSA-N 2 0 390.575 4.477 20 0 GIADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000459746228 823259524 /nfs/dbraw/zinc/25/95/24/823259524.db2.gz ZDBPWKSDVOLWAC-SFHVURJKSA-N 2 0 384.568 4.135 20 0 GIADRP Clc1ccc(-c2nnc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)o2)cc1 ZINC000121836069 823260138 /nfs/dbraw/zinc/26/01/38/823260138.db2.gz KNQOPAWRPQSVGB-UHFFFAOYSA-N 2 0 388.943 4.478 20 0 GIADRP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)c2ncc(-c3ccccc3)o2)CC1 ZINC000122076115 823302471 /nfs/dbraw/zinc/30/24/71/823302471.db2.gz FKQVKZCBCFRVMR-LJQANCHMSA-N 2 0 385.552 4.473 20 0 GIADRP CN(C)c1ccc(N2CCC([NH2+]C3CC[NH+](C4CCCCC4)CC3)CC2)cc1 ZINC000122323966 823338175 /nfs/dbraw/zinc/33/81/75/823338175.db2.gz IATAXVQYMYRPIO-UHFFFAOYSA-N 2 0 384.612 4.108 20 0 GIADRP Fc1ccc(Cn2cc(C[NH2+]Cc3ccc(C[NH+]4CCCCC4)cc3)cn2)cc1 ZINC000189009114 823341714 /nfs/dbraw/zinc/34/17/14/823341714.db2.gz GYCWXFHKSVVSPG-UHFFFAOYSA-N 2 0 392.522 4.346 20 0 GIADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000122679829 823393211 /nfs/dbraw/zinc/39/32/11/823393211.db2.gz RAPJHEUGDGHBRL-HNNXBMFYSA-N 2 0 385.474 4.134 20 0 GIADRP Cc1cc(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn2ccnc12 ZINC000572815136 823404646 /nfs/dbraw/zinc/40/46/46/823404646.db2.gz HGSFTXNIBLOGDZ-GHTZIAJQSA-N 2 0 391.519 4.160 20 0 GIADRP CCC[NH+]1CCC([N@H+](C)Cc2cc(Br)cc3cccnc32)CC1 ZINC000177280811 823419999 /nfs/dbraw/zinc/41/99/99/823419999.db2.gz NEHLQYHIEGVOAJ-UHFFFAOYSA-N 2 0 376.342 4.304 20 0 GIADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000410208505 823420158 /nfs/dbraw/zinc/42/01/58/823420158.db2.gz RXMAVIIZAUTMNP-QGZVFWFLSA-N 2 0 394.401 4.050 20 0 GIADRP c1ccc(-c2noc([C@H](c3ccccc3)[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000573091682 823446356 /nfs/dbraw/zinc/44/63/56/823446356.db2.gz LASZVGUQRZZRNB-YADHBBJMSA-N 2 0 388.515 4.148 20 0 GIADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc(N2CCOC2=O)cc1 ZINC000123008806 823447371 /nfs/dbraw/zinc/44/73/71/823447371.db2.gz FZERTHIWKLEKKH-GOSISDBHSA-N 2 0 379.504 4.090 20 0 GIADRP COc1ccc2oc(C[NH2+]Cc3ccc(C[NH+]4C[C@@H](C)O[C@H](C)C4)cc3)cc2c1 ZINC000123060972 823455447 /nfs/dbraw/zinc/45/54/47/823455447.db2.gz RNZYIEORHJMHFM-QZTJIDSGSA-N 2 0 394.515 4.340 20 0 GIADRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058848519 823462021 /nfs/dbraw/zinc/46/20/21/823462021.db2.gz VNGVGSOXIWVAHF-HSZRJFAPSA-N 2 0 391.559 4.176 20 0 GIADRP CC(C)[C@@H]([NH2+][C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000027450695 820246274 /nfs/dbraw/zinc/24/62/74/820246274.db2.gz NLFVMYWCRDGPFV-HYBUGGRVSA-N 2 0 393.575 4.143 20 0 GIADRP C[C@@H]1C[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000177475754 823471287 /nfs/dbraw/zinc/47/12/87/823471287.db2.gz YJIACTFZVIZABQ-HYBUGGRVSA-N 2 0 391.559 4.065 20 0 GIADRP C[C@H]1C[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000177475771 823471434 /nfs/dbraw/zinc/47/14/34/823471434.db2.gz YJIACTFZVIZABQ-GBXCKJPGSA-N 2 0 391.559 4.065 20 0 GIADRP CN(c1ccccc1C[NH2+]Cc1ccc(OC(F)F)cc1)C1CC[NH+](C)CC1 ZINC000177558553 823490941 /nfs/dbraw/zinc/49/09/41/823490941.db2.gz KBUISURAZPPWOG-UHFFFAOYSA-N 2 0 389.490 4.108 20 0 GIADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)n1 ZINC000123519984 823516870 /nfs/dbraw/zinc/51/68/70/823516870.db2.gz CGXZSJLYBKSRSQ-FQEVSTJZSA-N 2 0 392.547 4.280 20 0 GIADRP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)cc1Br ZINC000123582573 823523558 /nfs/dbraw/zinc/52/35/58/823523558.db2.gz JCCNXLJQNAKINU-CQSZACIVSA-N 2 0 377.326 4.370 20 0 GIADRP C[C@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000180690556 821397081 /nfs/dbraw/zinc/39/70/81/821397081.db2.gz AUVDMCACDXFINC-YWZLYKJASA-N 2 0 396.453 4.030 20 0 GIADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@H](O)c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000180692856 821398448 /nfs/dbraw/zinc/39/84/48/821398448.db2.gz YGVWLACSDDSABY-XPGWFJOJSA-N 2 0 384.486 4.372 20 0 GIADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(-c2ccccc2)o1 ZINC000180995648 821582434 /nfs/dbraw/zinc/58/24/34/821582434.db2.gz YGOJFJSZJDCOQC-GOSISDBHSA-N 2 0 391.515 4.089 20 0 GIADRP CC1CC[NH+](C2CCC([NH2+][C@@H](c3cnn(C)c3)c3cccc(F)c3)CC2)CC1 ZINC000181003796 821587298 /nfs/dbraw/zinc/58/72/98/821587298.db2.gz SYTXZVIRQIMRJK-XPPIMPSXSA-N 2 0 384.543 4.281 20 0 GIADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCc3nc(-c4ccccn4)cs3)CC2)C1 ZINC000181012322 821593029 /nfs/dbraw/zinc/59/30/29/821593029.db2.gz HBPUOORNXZGPFD-IEBWSBKVSA-N 2 0 384.593 4.380 20 0 GIADRP C[C@@H]([NH2+]Cc1ccccc1N1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000181265782 821724282 /nfs/dbraw/zinc/72/42/82/821724282.db2.gz JRDFNUXUVMZNAO-HXUWFJFHSA-N 2 0 381.564 4.468 20 0 GIADRP COc1cccc2[nH]cc(CC[NH2+][C@H](C)c3ccc(OCC[NH+](C)C)cc3)c21 ZINC000181334964 821766531 /nfs/dbraw/zinc/76/65/31/821766531.db2.gz SKYHSQINZLLOBM-QGZVFWFLSA-N 2 0 381.520 4.010 20 0 GIADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cc2cc(Br)ccc2o1 ZINC000181733211 821967310 /nfs/dbraw/zinc/96/73/10/821967310.db2.gz HBEAQFPAUCRXFU-WMLDXEAASA-N 2 0 395.341 4.083 20 0 GIADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000182230192 822157782 /nfs/dbraw/zinc/15/77/82/822157782.db2.gz PWGIKVMNENHITL-TZIWHRDSSA-N 2 0 386.536 4.109 20 0 GIADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cnc2ccsc2c1 ZINC000182238948 822162123 /nfs/dbraw/zinc/16/21/23/822162123.db2.gz OYAPLSBAMUZKGM-OXJNMPFZSA-N 2 0 381.545 4.104 20 0 GIADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccccc1C(F)(F)F ZINC000182263539 822176856 /nfs/dbraw/zinc/17/68/56/822176856.db2.gz OMYZGZXTYHIIQX-YJBOKZPZSA-N 2 0 378.438 4.123 20 0 GIADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@H](C)c1nc2ccccc2s1 ZINC000182268089 822179165 /nfs/dbraw/zinc/17/91/65/822179165.db2.gz PCVAZMRDQDMRGA-ZWOKBUDYSA-N 2 0 395.572 4.145 20 0 GIADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000182273393 822181917 /nfs/dbraw/zinc/18/19/17/822181917.db2.gz JSVMHYULUGLPLZ-BEFAXECRSA-N 2 0 387.593 4.166 20 0 GIADRP COc1ccc([C@H](C)[NH2+]Cc2ccc(NC(N)=O)cc2)cc1C[NH+]1CCCCC1 ZINC000182311938 822199058 /nfs/dbraw/zinc/19/90/58/822199058.db2.gz AWTJYCHERCFVPT-KRWDZBQOSA-N 2 0 396.535 4.023 20 0 GIADRP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)c1 ZINC000177976610 822266156 /nfs/dbraw/zinc/26/61/56/822266156.db2.gz MHRJTUXZCHTCCD-INIZCTEOSA-N 2 0 388.943 4.082 20 0 GIADRP C[C@@H]([NH2+]Cc1cccc(Br)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178162368 822337465 /nfs/dbraw/zinc/33/74/65/822337465.db2.gz ACFJBSYJFGQGJS-OAHLLOKOSA-N 2 0 377.326 4.240 20 0 GIADRP COC[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccc(F)c(F)c1 ZINC000182688117 822351703 /nfs/dbraw/zinc/35/17/03/822351703.db2.gz FNRYNMPWGTWKPV-HXUWFJFHSA-N 2 0 380.504 4.216 20 0 GIADRP Cc1cnc(CC[NH2+][C@@H](CCC[NH+]2CCC(C)CC2)c2ccc(F)cc2)cn1 ZINC000453407598 822358656 /nfs/dbraw/zinc/35/86/56/822358656.db2.gz SDEYXDJSCUAGML-QHCPKHFHSA-N 2 0 384.543 4.310 20 0 GIADRP CC[C@H](C(=O)N1CCC([NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1)c1ccccc1 ZINC000178274980 822362164 /nfs/dbraw/zinc/36/21/64/822362164.db2.gz VBKOAIKNOKHSNQ-QFIPXVFZSA-N 2 0 385.596 4.024 20 0 GIADRP C[C@H](Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000182804280 822370225 /nfs/dbraw/zinc/37/02/25/822370225.db2.gz LGFXGYCTPDNEDD-IBGZPJMESA-N 2 0 399.604 4.349 20 0 GIADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cc(F)cc3c2OCOC3)CC1 ZINC000178391607 822374543 /nfs/dbraw/zinc/37/45/43/822374543.db2.gz OKBFJAFWNOYOOV-QGZVFWFLSA-N 2 0 376.516 4.169 20 0 GIADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)ccc1OC ZINC000182839224 822376314 /nfs/dbraw/zinc/37/63/14/822376314.db2.gz RHNZEPAWSNTSNT-UXHICEINSA-N 3 0 375.601 4.308 20 0 GIADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)ccc1OC ZINC000182839285 822376341 /nfs/dbraw/zinc/37/63/41/822376341.db2.gz RHNZEPAWSNTSNT-VQTJNVASSA-N 3 0 375.601 4.308 20 0 GIADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)c2sc(C)nc2C)CC1 ZINC000178770535 822408572 /nfs/dbraw/zinc/40/85/72/822408572.db2.gz RQUXDZYHBPWTCT-HUUCEWRRSA-N 2 0 390.572 4.453 20 0 GIADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc2ccccc2n1 ZINC000178795342 822410501 /nfs/dbraw/zinc/41/05/01/822410501.db2.gz WFIINIKOYVRGSD-GOSISDBHSA-N 2 0 375.516 4.042 20 0 GIADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc2ccccc2n1 ZINC000178795330 822410598 /nfs/dbraw/zinc/41/05/98/822410598.db2.gz WFIINIKOYVRGSD-SFHVURJKSA-N 2 0 375.516 4.042 20 0 GIADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C[C@](C)(O)c2ccsc2)ccc1OC ZINC000183011032 822410903 /nfs/dbraw/zinc/41/09/03/822410903.db2.gz TVUIKSWMRYTVOZ-IERDGZPVSA-N 2 0 376.566 4.157 20 0 GIADRP COc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3ccccn3)C2)cc1C[NH+]1CCCCC1 ZINC000183387944 822467255 /nfs/dbraw/zinc/46/72/55/822467255.db2.gz YMOKPRQKXAWJJE-KNQAVFIVSA-N 2 0 394.563 4.006 20 0 GIADRP Cc1cccc(NC(=O)[C@H](C)[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000179388406 822475293 /nfs/dbraw/zinc/47/52/93/822475293.db2.gz WRFMKGUKSGPZLH-FQEVSTJZSA-N 2 0 394.563 4.264 20 0 GIADRP C[C@@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)c1cccc(OCC[NH+](C)C)c1 ZINC000179455944 822485651 /nfs/dbraw/zinc/48/56/51/822485651.db2.gz HCGBVTLTIZCQBF-QGZVFWFLSA-N 2 0 397.494 4.314 20 0 GIADRP COCC[N@H+](C)CCCC1CCN(Cc2sc(C)nc2C(F)(F)F)CC1 ZINC000183636335 822504502 /nfs/dbraw/zinc/50/45/02/822504502.db2.gz LCXVDLCDSIRCKE-UHFFFAOYSA-N 2 0 393.519 4.041 20 0 GIADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000046904572 822528863 /nfs/dbraw/zinc/52/88/63/822528863.db2.gz FABSLKUFUDDRCC-OAQYLSRUSA-N 2 0 383.536 4.078 20 0 GIADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000184083821 822575577 /nfs/dbraw/zinc/57/55/77/822575577.db2.gz OCOIIWWHVQGIEA-SIFCLUCFSA-N 2 0 384.395 4.276 20 0 GIADRP C[N@H+](CCOc1cccc(C[NH2+][C@H](c2ccccc2)C2CC2)c1)C1CCOCC1 ZINC000180088618 822612802 /nfs/dbraw/zinc/61/28/02/822612802.db2.gz SQBNBFFCRCJYIJ-RUZDIDTESA-N 2 0 394.559 4.417 20 0 GIADRP CC(C)[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000180124125 822620289 /nfs/dbraw/zinc/62/02/89/822620289.db2.gz GAKHOFDLNDYANC-JXFKEZNVSA-N 2 0 384.486 4.493 20 0 GIADRP CC[N@H+](C)Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c1 ZINC000180171434 822632031 /nfs/dbraw/zinc/63/20/31/822632031.db2.gz OZNUMBREQNRQID-SEJPIABJSA-N 2 0 387.568 4.158 20 0 GIADRP Cn1c2ccccc2nc1CCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000180176218 822632794 /nfs/dbraw/zinc/63/27/94/822632794.db2.gz AQOWXUVQCNYKRG-BHIFYINESA-N 2 0 388.559 4.006 20 0 GIADRP CC[NH+](CC)[C@H](CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000184708255 822680163 /nfs/dbraw/zinc/68/01/63/822680163.db2.gz MFPBQUKSVUVWBC-OAQYLSRUSA-N 2 0 397.563 4.081 20 0 GIADRP C[C@@H](C[NH2+][C@H](c1cccc(F)c1)c1cccc(Cl)c1)CN1CC[NH+](C)CC1 ZINC000180439829 822682388 /nfs/dbraw/zinc/68/23/88/822682388.db2.gz RVFKBJWTGOOXBU-JTSKRJEESA-N 2 0 389.946 4.042 20 0 GIADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC000180466945 822687396 /nfs/dbraw/zinc/68/73/96/822687396.db2.gz UQROLVDVZLFPLQ-JOCHJYFZSA-N 2 0 389.946 4.186 20 0 GIADRP CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000455931823 822751937 /nfs/dbraw/zinc/75/19/37/822751937.db2.gz PUYXXOUAZJSSEF-JOCHJYFZSA-N 2 0 386.584 4.211 20 0 GIADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCC(CCC[NH+]4CCCC4)CC3)ccc21 ZINC000455932471 822752162 /nfs/dbraw/zinc/75/21/62/822752162.db2.gz PWUWZYQAEZZSRE-QHCPKHFHSA-N 2 0 398.595 4.355 20 0 GIADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(Br)cc2O)c1 ZINC000185352633 822769971 /nfs/dbraw/zinc/76/99/71/822769971.db2.gz GFJBJPYMYSBMLI-AWEZNQCLSA-N 2 0 377.326 4.457 20 0 GIADRP C[N@H+](CCC(=O)Nc1ccccc1Cl)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174404721 822785599 /nfs/dbraw/zinc/78/55/99/822785599.db2.gz RKXIXDYMVBREHT-LJQANCHMSA-N 2 0 385.939 4.123 20 0 GIADRP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cc(Br)ccc1O ZINC000185459166 822786895 /nfs/dbraw/zinc/78/68/95/822786895.db2.gz PGQFRORREXSXIG-GFCCVEGCSA-N 2 0 381.289 4.206 20 0 GIADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456253518 822790354 /nfs/dbraw/zinc/79/03/54/822790354.db2.gz BDOYPCSNOZNXJQ-FQEVSTJZSA-N 2 0 377.488 4.296 20 0 GIADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456253519 822790388 /nfs/dbraw/zinc/79/03/88/822790388.db2.gz BDOYPCSNOZNXJQ-HXUWFJFHSA-N 2 0 377.488 4.296 20 0 GIADRP CCCC[N@H+](C)CC1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000052209973 822793048 /nfs/dbraw/zinc/79/30/48/822793048.db2.gz OIVVWZCGYBFALG-UHFFFAOYSA-N 2 0 395.975 4.121 20 0 GIADRP C[C@H]1C[C@@H](N(C)C(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)CC[N@@H+]1C ZINC000174526087 822801090 /nfs/dbraw/zinc/80/10/90/822801090.db2.gz FJRYUAAHLVDCOK-RXVVDRJESA-N 2 0 386.584 4.398 20 0 GIADRP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000186154942 822856483 /nfs/dbraw/zinc/85/64/83/822856483.db2.gz OSSKMVBFIIAFIG-DEOSSOPVSA-N 2 0 378.560 4.427 20 0 GIADRP COc1ccsc1[C@H](C)[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000186186633 822859198 /nfs/dbraw/zinc/85/91/98/822859198.db2.gz BSIWUZZKSLZDJI-SFHVURJKSA-N 2 0 388.577 4.479 20 0 GIADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CCc2nn(C)c3ccccc23)ccc1OC ZINC000186484527 822902947 /nfs/dbraw/zinc/90/29/47/822902947.db2.gz NXFIRQABGURUNE-SFHVURJKSA-N 2 0 394.563 4.317 20 0 GIADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000186564270 822914014 /nfs/dbraw/zinc/91/40/14/822914014.db2.gz OILDWWJIHNWYGN-GXTWGEPZSA-N 2 0 376.397 4.048 20 0 GIADRP Cc1cc([C@@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)c2cccc(Cl)c2)c(C)s1 ZINC000570205588 823015178 /nfs/dbraw/zinc/01/51/78/823015178.db2.gz JYXHXOIOMJMAQQ-BTYIYWSLSA-N 2 0 392.012 4.333 20 0 GIADRP CN(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000570279412 823021861 /nfs/dbraw/zinc/02/18/61/823021861.db2.gz DPVADTOERRSDOB-TYABSZSSSA-N 2 0 390.506 4.393 20 0 GIADRP COc1ccc([C@@H](Cc2ccccc2)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000570369537 823030192 /nfs/dbraw/zinc/03/01/92/823030192.db2.gz RNKKHVNKUOKKNY-SQJMNOBHSA-N 2 0 394.559 4.070 20 0 GIADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)C[C@H]1C ZINC000411311872 823564145 /nfs/dbraw/zinc/56/41/45/823564145.db2.gz YHBHEYKNFNNOFA-RFWXGWTQSA-N 2 0 399.604 4.148 20 0 GIADRP CC[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1cccc(Cl)c1F ZINC000461097005 823576287 /nfs/dbraw/zinc/57/62/87/823576287.db2.gz HSYYPKBSZIVXQZ-SFHVURJKSA-N 2 0 397.966 4.147 20 0 GIADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411492901 823581073 /nfs/dbraw/zinc/58/10/73/823581073.db2.gz DOJRGFCOCQNSDJ-VIZSFHNOSA-N 2 0 383.580 4.150 20 0 GIADRP C[C@H]([NH2+]CCC(=O)Nc1ccc(Cl)cc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411512209 823582724 /nfs/dbraw/zinc/58/27/24/823582724.db2.gz APIIFRVKQLFXCE-GJZGRUSLSA-N 2 0 381.923 4.050 20 0 GIADRP c1cc(C[NH+]2CCCCC2)cc(C[NH+]2CCC(c3noc(C4CC4)n3)CC2)c1 ZINC000411549427 823587542 /nfs/dbraw/zinc/58/75/42/823587542.db2.gz HBZCBCWVQNPRRB-UHFFFAOYSA-N 2 0 380.536 4.313 20 0 GIADRP CCOC1CC2(C1)CC[NH+](CCC(C)CC[N@H+]1CCC3(CC(OCC)C3)C1)C2 ZINC000411726050 823600432 /nfs/dbraw/zinc/60/04/32/823600432.db2.gz IXEPJAUCRFZZJG-UHFFFAOYSA-N 2 0 392.628 4.185 20 0 GIADRP O[C@H](COc1ccc2ccccc2c1)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000061735376 823610234 /nfs/dbraw/zinc/61/02/34/823610234.db2.gz SCQUSIBPDABWEE-DEOSSOPVSA-N 2 0 396.575 4.168 20 0 GIADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)o1 ZINC000062427097 823635193 /nfs/dbraw/zinc/63/51/93/823635193.db2.gz JWYGRGJKQMBLEY-IBGZPJMESA-N 2 0 378.520 4.261 20 0 GIADRP O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000461473643 823644035 /nfs/dbraw/zinc/64/40/35/823644035.db2.gz VDTRNRIEMBMKTE-PKTZIBPZSA-N 2 0 397.607 4.060 20 0 GIADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)c1cccc(C[NH+]2CCCCC2)c1)c1ccco1 ZINC000412328626 823646746 /nfs/dbraw/zinc/64/67/46/823646746.db2.gz CKSMTBIXQYIVIJ-WIYYLYMNSA-N 2 0 383.536 4.125 20 0 GIADRP Cc1c([C@H](C)[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)cnn1C(C)(C)C ZINC000191214622 823659758 /nfs/dbraw/zinc/65/97/58/823659758.db2.gz LKMHWCYZGLKRQD-FQEVSTJZSA-N 2 0 397.611 4.200 20 0 GIADRP Cc1c([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1C(C)(C)C ZINC000191224107 823660744 /nfs/dbraw/zinc/66/07/44/823660744.db2.gz SSACIBHJHGAAGI-CEXWTWQISA-N 2 0 398.595 4.407 20 0 GIADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccc(-n2ccnc2)cc1 ZINC000125492781 823680571 /nfs/dbraw/zinc/68/05/71/823680571.db2.gz WJWRPHFWHGPVOB-GOSISDBHSA-N 2 0 380.561 4.497 20 0 GIADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000125573159 823686447 /nfs/dbraw/zinc/68/64/47/823686447.db2.gz YIPIHUJZVUDDDK-IBGZPJMESA-N 2 0 386.458 4.005 20 0 GIADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000574362228 823708756 /nfs/dbraw/zinc/70/87/56/823708756.db2.gz NDSUJSCXBXVBKP-GOSISDBHSA-N 2 0 380.319 4.106 20 0 GIADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000063917576 823711547 /nfs/dbraw/zinc/71/15/47/823711547.db2.gz OXAULOFKAWDMPP-HXUWFJFHSA-N 2 0 394.588 4.481 20 0 GIADRP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000574480997 823742235 /nfs/dbraw/zinc/74/22/35/823742235.db2.gz CRYCLJOYZOUGJY-BHYGNILZSA-N 2 0 393.984 4.409 20 0 GIADRP CCCC[N@H+](C)CC1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000163769144 823746442 /nfs/dbraw/zinc/74/64/42/823746442.db2.gz LNUOHKUAMIFHRZ-UHFFFAOYSA-N 2 0 399.623 4.259 20 0 GIADRP COCCOCc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)cc1 ZINC000574517678 823754239 /nfs/dbraw/zinc/75/42/39/823754239.db2.gz HQIAWIIEPUPDOD-XMMPIXPASA-N 2 0 394.559 4.136 20 0 GIADRP C[C@@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)[C@H](C)c1ccccc1 ZINC000163943901 823763696 /nfs/dbraw/zinc/76/36/96/823763696.db2.gz YGUHIURFYOOCSE-LEWJYISDSA-N 2 0 396.575 4.458 20 0 GIADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000163946363 823764246 /nfs/dbraw/zinc/76/42/46/823764246.db2.gz PZMYGKYKHGDSOQ-BWKNWUBXSA-N 2 0 392.591 4.068 20 0 GIADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(-n2cncn2)cc1 ZINC000163948798 823765009 /nfs/dbraw/zinc/76/50/09/823765009.db2.gz USOWAYBFWZGKAZ-IBGZPJMESA-N 2 0 375.520 4.104 20 0 GIADRP Clc1ccc(OCc2cccnc2)c(CN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000126049304 823774734 /nfs/dbraw/zinc/77/47/34/823774734.db2.gz VTDRAJRMMKNGRF-UHFFFAOYSA-N 2 0 394.906 4.031 20 0 GIADRP C[C@H](C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)[C@H]([NH3+])c1ccccc1 ZINC000164586418 823810323 /nfs/dbraw/zinc/81/03/23/823810323.db2.gz SKZYKISFKCWPFK-YDHSSHFGSA-N 2 0 379.548 4.013 20 0 GIADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000164602796 823811702 /nfs/dbraw/zinc/81/17/02/823811702.db2.gz NPHPNVRNKLNYRB-CVDCTZTESA-N 2 0 379.548 4.015 20 0 GIADRP [NH3+][C@@H](CCC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccccc1 ZINC000166409127 823877602 /nfs/dbraw/zinc/87/76/02/823877602.db2.gz BWGFKYCEBLHMMJ-QHCPKHFHSA-N 2 0 379.548 4.159 20 0 GIADRP CSCc1cc(F)ccc1C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000167114006 823886413 /nfs/dbraw/zinc/88/64/13/823886413.db2.gz FQJFZDPIZOOECR-MRXNPFEDSA-N 2 0 376.541 4.480 20 0 GIADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)[C@H](C)C1 ZINC000167901227 823898424 /nfs/dbraw/zinc/89/84/24/823898424.db2.gz INUKPIAQBCHXIR-FOIQADDNSA-N 2 0 384.395 4.278 20 0 GIADRP CC[C@@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[N@H+](C)Cc1ccccc1 ZINC000575066623 823903311 /nfs/dbraw/zinc/90/33/11/823903311.db2.gz ZZXMUHDFBBAMJS-QFIPXVFZSA-N 2 0 397.588 4.085 20 0 GIADRP CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000126698337 823930033 /nfs/dbraw/zinc/93/00/33/823930033.db2.gz REGKDEKBLGABJT-JTSKRJEESA-N 2 0 385.527 4.388 20 0 GIADRP CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cc1 ZINC000126718902 823934743 /nfs/dbraw/zinc/93/47/43/823934743.db2.gz DGYKYBGKTNUOJD-HXUWFJFHSA-N 2 0 381.564 4.072 20 0 GIADRP CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000126749951 823941280 /nfs/dbraw/zinc/94/12/80/823941280.db2.gz QNZRBTQPZAJYJB-ROUUACIJSA-N 2 0 385.527 4.388 20 0 GIADRP CC(C)Oc1ccc([C@@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000414298335 823953783 /nfs/dbraw/zinc/95/37/83/823953783.db2.gz GYPSOYZOEIRZKF-HXUWFJFHSA-N 2 0 382.548 4.152 20 0 GIADRP Fc1ccc(N2CC[C@H]([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)cc1 ZINC000414342627 823961779 /nfs/dbraw/zinc/96/17/79/823961779.db2.gz ITUBULANWGMBDZ-HIGZBPRKSA-N 2 0 379.523 4.190 20 0 GIADRP Cc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)ccc1C(F)(F)F ZINC000414365768 823966403 /nfs/dbraw/zinc/96/64/03/823966403.db2.gz PKIQPWWNZFLOIP-UHFFFAOYSA-N 2 0 392.465 4.260 20 0 GIADRP CCC[C@H](C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccccc1 ZINC000414557756 824011739 /nfs/dbraw/zinc/01/17/39/824011739.db2.gz QPTJFGAUGPOHGT-XMMPIXPASA-N 2 0 393.575 4.057 20 0 GIADRP C[NH+]1CCC(N2CCC([NH2+]CCCCc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000192522235 824018977 /nfs/dbraw/zinc/01/89/77/824018977.db2.gz FIFSZJGXDXRTSN-UHFFFAOYSA-N 2 0 398.422 4.464 20 0 GIADRP C[N@H+](Cc1ccccc1NC(=O)N1CCC2(C1)CC[NH2+]CC2)C1CCCCC1 ZINC000414709350 824025517 /nfs/dbraw/zinc/02/55/17/824025517.db2.gz JUDRGQJGCOHERC-UHFFFAOYSA-N 2 0 384.568 4.059 20 0 GIADRP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)cc1 ZINC000414807240 824037813 /nfs/dbraw/zinc/03/78/13/824037813.db2.gz CJQZSGPIDVAASS-KRWDZBQOSA-N 2 0 375.520 4.370 20 0 GIADRP CCOc1c(Br)cc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1OC ZINC000414808129 824038348 /nfs/dbraw/zinc/03/83/48/824038348.db2.gz KGOYNVATLMVJFX-CYBMUJFWSA-N 2 0 393.325 4.166 20 0 GIADRP CC[C@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000570743951 823079744 /nfs/dbraw/zinc/07/97/44/823079744.db2.gz VCYMKDFRCDOYOS-GBXCKJPGSA-N 2 0 393.575 4.239 20 0 GIADRP C[C@@H](C[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000571006360 823119205 /nfs/dbraw/zinc/11/92/05/823119205.db2.gz RGPZWCUMSTXACY-SFHVURJKSA-N 2 0 397.529 4.349 20 0 GIADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3=CCN(C(=O)OC(C)(C)C)CC3)CC2)C1 ZINC000187749592 823124882 /nfs/dbraw/zinc/12/48/82/823124882.db2.gz KYTVCJWEHLCVDU-WIYYLYMNSA-N 2 0 391.600 4.186 20 0 GIADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000056495158 823159132 /nfs/dbraw/zinc/15/91/32/823159132.db2.gz WTHCWDXMQQBWAC-UHFFFAOYSA-N 2 0 385.596 4.257 20 0 GIADRP C[C@]1(c2ccccc2)CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000188112605 823188302 /nfs/dbraw/zinc/18/83/02/823188302.db2.gz CBCIYWHWZBGIEM-ZCYQVOJMSA-N 2 0 378.560 4.243 20 0 GIADRP C[C@H](CCc1ccc(Br)cc1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459461653 823196794 /nfs/dbraw/zinc/19/67/94/823196794.db2.gz GJVGVENFXXLXBB-MRXNPFEDSA-N 2 0 388.353 4.424 20 0 GIADRP CCO[C@@H]1C[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)[C@H]1Sc1ccccc1 ZINC000459466033 823198255 /nfs/dbraw/zinc/19/82/55/823198255.db2.gz ONCIGRLJUZLSAU-YTFSRNRJSA-N 2 0 397.588 4.226 20 0 GIADRP COc1cc(Br)ccc1[C@@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459497107 823204470 /nfs/dbraw/zinc/20/44/70/823204470.db2.gz RCFLXEBKTLXXLB-CQSZACIVSA-N 2 0 390.325 4.172 20 0 GIADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000571721288 823224681 /nfs/dbraw/zinc/22/46/81/823224681.db2.gz GZRGFCRWMUVHMA-ZCYQVOJMSA-N 2 0 399.623 4.057 20 0 GIADRP Cn1ccnc1COc1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000121882899 823269849 /nfs/dbraw/zinc/26/98/49/823269849.db2.gz BCJBPJMZZKRDMM-UHFFFAOYSA-N 2 0 396.579 4.087 20 0 GIADRP CC(C)c1[nH+]c(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)c2ccccn21 ZINC000572125660 823286868 /nfs/dbraw/zinc/28/68/68/823286868.db2.gz DVXHMOFIUWLWNK-UHFFFAOYSA-N 2 0 392.547 4.221 20 0 GIADRP COc1cc2c(cc1C[NH2+]Cc1ccc(C[NH+]3CCCCC3)cc1)O[C@H](C)C2 ZINC000015580674 818342142 /nfs/dbraw/zinc/34/21/42/818342142.db2.gz JVYSIEWCHLUDCD-GOSISDBHSA-N 2 0 380.532 4.294 20 0 GIADRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(Br)s1 ZINC000122302038 823334860 /nfs/dbraw/zinc/33/48/60/823334860.db2.gz SAKJBFKZULLMMF-ZDUSSCGKSA-N 2 0 383.355 4.302 20 0 GIADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000460282142 823339172 /nfs/dbraw/zinc/33/91/72/823339172.db2.gz OTJCKBKVHKNBOD-HXUWFJFHSA-N 2 0 377.617 4.002 20 0 GIADRP C[C@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000122403476 823349936 /nfs/dbraw/zinc/34/99/36/823349936.db2.gz QJZILXBXOCOIHU-SFHVURJKSA-N 2 0 395.547 4.216 20 0 GIADRP C[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000122403738 823349981 /nfs/dbraw/zinc/34/99/81/823349981.db2.gz QJZILXBXOCOIHU-GOSISDBHSA-N 2 0 395.547 4.216 20 0 GIADRP Cc1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc(C)c1OCc1ccccn1 ZINC000572643174 823373808 /nfs/dbraw/zinc/37/38/08/823373808.db2.gz LVCLKARDFSMJIA-JOCHJYFZSA-N 2 0 379.548 4.099 20 0 GIADRP Cc1ccc2cc(C[NH2+][C@H](C)c3cc(F)ccc3N3CC[NH+](C)CC3)ccc2n1 ZINC000189320653 823393548 /nfs/dbraw/zinc/39/35/48/823393548.db2.gz BPMUOARMKFJLMT-GOSISDBHSA-N 2 0 392.522 4.285 20 0 GIADRP Cc1cc(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn2ccnc12 ZINC000572815138 823404605 /nfs/dbraw/zinc/40/46/05/823404605.db2.gz HGSFTXNIBLOGDZ-RXVVDRJESA-N 2 0 391.519 4.160 20 0 GIADRP CC[NH+](CC)Cc1cccc(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000177227928 823404777 /nfs/dbraw/zinc/40/47/77/823404777.db2.gz YZUXNZLRRCHRNR-UHFFFAOYSA-N 2 0 375.557 4.018 20 0 GIADRP CC(C)c1ccccc1OC[C@H](O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058579824 823412209 /nfs/dbraw/zinc/41/22/09/823412209.db2.gz KZIVJMMCIDQUGT-JOCHJYFZSA-N 2 0 388.596 4.138 20 0 GIADRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000410208504 823420191 /nfs/dbraw/zinc/42/01/91/823420191.db2.gz RXMAVIIZAUTMNP-KRWDZBQOSA-N 2 0 394.401 4.050 20 0 GIADRP CCc1ccc(NC(=O)[C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000025702520 820016281 /nfs/dbraw/zinc/01/62/81/820016281.db2.gz SEOHKVKXRMKAHS-IBGZPJMESA-N 2 0 379.548 4.352 20 0 GIADRP CN(C)[C@H](C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000573096739 823446758 /nfs/dbraw/zinc/44/67/58/823446758.db2.gz DTILYSDILUZQQB-KXTRFFEISA-N 2 0 383.555 4.461 20 0 GIADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000123020027 823449159 /nfs/dbraw/zinc/44/91/59/823449159.db2.gz RDGYCDGFOPGJKB-HXUWFJFHSA-N 3 0 381.564 4.074 20 0 GIADRP C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123117276 823465076 /nfs/dbraw/zinc/46/50/76/823465076.db2.gz USXHYNCXHFDXEI-HNNXBMFYSA-N 2 0 385.474 4.086 20 0 GIADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Nc2cccc(C[NH+](C)C)c2)cc1 ZINC000410345913 823468682 /nfs/dbraw/zinc/46/86/82/823468682.db2.gz TULBBYSUZMINOX-IBGZPJMESA-N 2 0 394.563 4.444 20 0 GIADRP CC[NH+](CC)[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000123454008 823510597 /nfs/dbraw/zinc/51/05/97/823510597.db2.gz IYCMDLXPPNHJIL-MNEFBYGVSA-N 2 0 399.501 4.029 20 0 GIADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccc(Cl)c4cccnc34)CC2)C[C@H](C)O1 ZINC000060368358 823520483 /nfs/dbraw/zinc/52/04/83/823520483.db2.gz LMKAVXWHTZTIHW-CALCHBBNSA-N 2 0 387.955 4.209 20 0 GIADRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(-c2cccs2)cc1 ZINC000177825939 823531666 /nfs/dbraw/zinc/53/16/66/823531666.db2.gz GYSVRZAOLFUJRQ-SFHVURJKSA-N 2 0 392.572 4.413 20 0 GIADRP C[NH+](C)C1CCN(CC[NH2+][C@@H](c2cccc(F)c2)c2cccc(Cl)c2)CC1 ZINC000180712539 821411521 /nfs/dbraw/zinc/41/15/21/821411521.db2.gz QIVQCTLQIDWQAT-JOCHJYFZSA-N 2 0 389.946 4.184 20 0 GIADRP CC(C)[C@H](CSc1ccccc1)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000180960529 821557229 /nfs/dbraw/zinc/55/72/29/821557229.db2.gz LJMNHMCWBVHNPV-FKBYEOEOSA-N 2 0 376.610 4.161 20 0 GIADRP C[NH+](C)Cc1cccc(NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000044277395 821558577 /nfs/dbraw/zinc/55/85/77/821558577.db2.gz DTTKNAIJDNQXNQ-UHFFFAOYSA-N 2 0 380.536 4.056 20 0 GIADRP C[C@H]([NH2+]CCc1nc(-c2ccccn2)cs1)c1ccc(OCC[NH+](C)C)cc1 ZINC000181008725 821590474 /nfs/dbraw/zinc/59/04/74/821590474.db2.gz BRSCILNXSUFRMA-KRWDZBQOSA-N 2 0 396.560 4.039 20 0 GIADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H](CC(C)(C)C)c2ccccc2)c1 ZINC000181670493 821935646 /nfs/dbraw/zinc/93/56/46/821935646.db2.gz OBYSNEHARDYMKQ-JOCHJYFZSA-N 2 0 381.564 4.245 20 0 GIADRP COCCC[NH+]1CCC([NH2+]C2CCC(O)(c3ccc(C(C)C)cc3)CC2)CC1 ZINC000182049564 822073665 /nfs/dbraw/zinc/07/36/65/822073665.db2.gz AFTMMWUNTCJECN-UHFFFAOYSA-N 2 0 388.596 4.031 20 0 GIADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000182179211 822134232 /nfs/dbraw/zinc/13/42/32/822134232.db2.gz BLPAQXXOOPZAQT-LJQANCHMSA-N 2 0 395.547 4.013 20 0 GIADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000182258224 822172864 /nfs/dbraw/zinc/17/28/64/822172864.db2.gz GUQRGNQUAYMHQF-LOSJGSFVSA-N 2 0 390.502 4.272 20 0 GIADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(C(F)(F)F)c1 ZINC000182268456 822180003 /nfs/dbraw/zinc/18/00/03/822180003.db2.gz TVDKXXPGKKXLKN-QRWLVFNGSA-N 2 0 378.438 4.123 20 0 GIADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000182270138 822180494 /nfs/dbraw/zinc/18/04/94/822180494.db2.gz JYKFUYLOTOUOHA-ZEQRLZLVSA-N 2 0 382.523 4.413 20 0 GIADRP COc1ccc([C@@H](C)[NH2+]CCc2cn3ccccc3n2)cc1C[NH+]1CCCCC1 ZINC000182310666 822198399 /nfs/dbraw/zinc/19/83/99/822198399.db2.gz VSPZGUZJXJQZDX-LJQANCHMSA-N 2 0 392.547 4.222 20 0 GIADRP COc1ccc([C@H](C)NCc2c(Cl)cccc2N2CC[NH+](C)CC2)cc1F ZINC000178123845 822326665 /nfs/dbraw/zinc/32/66/65/822326665.db2.gz IYSVXLKKZYERPI-HNNXBMFYSA-N 2 0 391.918 4.090 20 0 GIADRP COc1ccc([C@H](C)[NH2+]C[C@H](O)c2cccc(F)c2)cc1C[NH+]1CCCCC1 ZINC000182629085 822330192 /nfs/dbraw/zinc/33/01/92/822330192.db2.gz NYFLQFVXMMBCEI-JTSKRJEESA-N 2 0 386.511 4.204 20 0 GIADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000178239870 822357480 /nfs/dbraw/zinc/35/74/80/822357480.db2.gz PSCQOKNVEAPHRC-QRWLVFNGSA-N 2 0 391.437 4.099 20 0 GIADRP CC[C@@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccc2c(c1)OCCO2 ZINC000178478988 822383463 /nfs/dbraw/zinc/38/34/63/822383463.db2.gz LNTZQYVIQAYHRF-DYESRHJHSA-N 2 0 384.520 4.200 20 0 GIADRP COc1ccc([C@H](C)[NH2+]C[C@H](CO)c2ccccc2)cc1C[NH+]1CCCCC1 ZINC000183081079 822422219 /nfs/dbraw/zinc/42/22/19/822422219.db2.gz ULHXEUKICCRSDQ-WMZHIEFXSA-N 2 0 382.548 4.108 20 0 GIADRP COc1ccc([C@@H]([NH2+]CC2CC[NH2+]CC2)c2ccccc2)cc1Br ZINC000178977702 822425759 /nfs/dbraw/zinc/42/57/59/822425759.db2.gz GRVAWCQMYVFYKV-FQEVSTJZSA-N 2 0 389.337 4.136 20 0 GIADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000046007945 822433799 /nfs/dbraw/zinc/43/37/99/822433799.db2.gz JUEBRGJROSXLKH-IBGZPJMESA-N 2 0 394.563 4.444 20 0 GIADRP C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)nc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000179121687 822440561 /nfs/dbraw/zinc/44/05/61/822440561.db2.gz XVNVTEXFQYXSRM-LSDHHAIUSA-N 2 0 376.907 4.038 20 0 GIADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)c2ccc(Cl)nc2)CC1 ZINC000179121720 822440640 /nfs/dbraw/zinc/44/06/40/822440640.db2.gz WEQGBJUAIYSVAS-JKSUJKDBSA-N 2 0 390.934 4.428 20 0 GIADRP C[C@@H](c1ccccc1Cl)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000179309724 822464146 /nfs/dbraw/zinc/46/41/46/822464146.db2.gz RNGDWBBAQDOQAZ-SFHVURJKSA-N 2 0 391.987 4.105 20 0 GIADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1csc(-c2ccccn2)n1 ZINC000179390050 822475729 /nfs/dbraw/zinc/47/57/29/822475729.db2.gz FPYYMNTWCOJZEC-UHFFFAOYSA-N 2 0 393.560 4.339 20 0 GIADRP Fc1ccc(-c2nc(CC[NH2+]C3CC[NH+](CCc4ccccc4)CC3)co2)cc1 ZINC000179454070 822485379 /nfs/dbraw/zinc/48/53/79/822485379.db2.gz VWJXYDIQKYDASS-UHFFFAOYSA-N 2 0 393.506 4.320 20 0 GIADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000183863407 822537724 /nfs/dbraw/zinc/53/77/24/822537724.db2.gz UMRJUFOZPNZVEZ-IEBWSBKVSA-N 2 0 395.341 4.078 20 0 GIADRP Cc1cc([C@H]([NH2+]CCCN2CC[NH+](C)CC2)c2ccccc2Cl)ccc1F ZINC000180017948 822597481 /nfs/dbraw/zinc/59/74/81/822597481.db2.gz ULAGZJVWPXFACS-QFIPXVFZSA-N 2 0 389.946 4.104 20 0 GIADRP Cc1ccc(NC2CC[NH+](C3CCCCC3)CC2)cc1NC(=O)CC[NH+](C)C ZINC000184657385 822671807 /nfs/dbraw/zinc/67/18/07/822671807.db2.gz MRAKQGKVWNQAIZ-UHFFFAOYSA-N 2 0 386.584 4.094 20 0 GIADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1 ZINC000048745016 822680734 /nfs/dbraw/zinc/68/07/34/822680734.db2.gz NBJTVHRLIFCRNV-GOSISDBHSA-N 2 0 378.495 4.110 20 0 GIADRP C[C@H](C[NH2+][C@@H](c1cccc(F)c1)c1cccc(Cl)c1)CN1CC[NH+](C)CC1 ZINC000180439813 822682392 /nfs/dbraw/zinc/68/23/92/822682392.db2.gz RVFKBJWTGOOXBU-VGOFRKELSA-N 2 0 389.946 4.042 20 0 GIADRP Clc1cccc(N2CCCC2)c1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000180508444 822693583 /nfs/dbraw/zinc/69/35/83/822693583.db2.gz DTNMNZGVQFRIEU-UHFFFAOYSA-N 2 0 391.987 4.017 20 0 GIADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCc3ccc(C[NH+]4CCCC4)cc3)ccc21 ZINC000455846039 822736015 /nfs/dbraw/zinc/73/60/15/822736015.db2.gz BCBFSMUUEFQQEL-HSZRJFAPSA-N 2 0 392.547 4.153 20 0 GIADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N[C@@H](C[NH+]3CCCC3)c3ccccc3)ccc21 ZINC000455899051 822744792 /nfs/dbraw/zinc/74/47/92/822744792.db2.gz FIGMIYFFNQXPHL-XZOQPEGZSA-N 2 0 392.547 4.194 20 0 GIADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000455942359 822754426 /nfs/dbraw/zinc/75/44/26/822754426.db2.gz VDEWURGFHZGDIX-FRGLQRNOSA-N 2 0 392.547 4.193 20 0 GIADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC000456284262 822794146 /nfs/dbraw/zinc/79/41/46/822794146.db2.gz TZVQSMUSYQIMKI-HSZRJFAPSA-N 2 0 377.532 4.086 20 0 GIADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)c3ccc(C[NH+]4CCCCC4)cc3)ccc21 ZINC000456334613 822799555 /nfs/dbraw/zinc/79/95/55/822799555.db2.gz VOSYOLGOKOYIRF-QHCPKHFHSA-N 2 0 377.532 4.474 20 0 GIADRP CC[NH+]1CCC(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000174551011 822803923 /nfs/dbraw/zinc/80/39/23/822803923.db2.gz MZHAWMLUEOWMGP-UHFFFAOYSA-N 2 0 389.547 4.146 20 0 GIADRP CC[NH+]1CCC(CC[NH2+]Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)CC1 ZINC000174551281 822803945 /nfs/dbraw/zinc/80/39/45/822803945.db2.gz IRJMATXUSJJOBD-UHFFFAOYSA-N 2 0 395.547 4.159 20 0 GIADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2-c2ccccc2)[C@H](C)C1 ZINC000174782127 822836347 /nfs/dbraw/zinc/83/63/47/822836347.db2.gz FBCZESHYFIDUJP-AUSIDOKSSA-N 2 0 379.548 4.344 20 0 GIADRP COc1ccsc1[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000186154323 822856300 /nfs/dbraw/zinc/85/63/00/822856300.db2.gz YYHAHBAKXCLWND-CABCVRRESA-N 2 0 377.529 4.059 20 0 GIADRP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(C[NH3+])cc1 ZINC000186444874 822896726 /nfs/dbraw/zinc/89/67/26/822896726.db2.gz GXXFXAZTGAICLD-UHFFFAOYSA-N 2 0 394.346 4.046 20 0 GIADRP Cc1ccccc1COc1ccc([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000186566163 822914323 /nfs/dbraw/zinc/91/43/23/822914323.db2.gz YNHIMQXDHFARSQ-FCHUYYIVSA-N 2 0 395.591 4.251 20 0 GIADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000186593834 822920169 /nfs/dbraw/zinc/92/01/69/822920169.db2.gz RNHXRWYYKQCJGO-WOJBJXKFSA-N 2 0 399.554 4.081 20 0 GIADRP CCOc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)CCO2 ZINC000186693485 822938890 /nfs/dbraw/zinc/93/88/90/822938890.db2.gz KDCJQGDOFLJAEW-JTSKRJEESA-N 2 0 384.520 4.200 20 0 GIADRP CCOc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)CCO2 ZINC000186700390 822940338 /nfs/dbraw/zinc/94/03/38/822940338.db2.gz JYUBONXPOYZIJI-HTAPYJJXSA-N 2 0 384.520 4.200 20 0 GIADRP O=C(Nc1ccc(F)cc1)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000570153480 823010897 /nfs/dbraw/zinc/01/08/97/823010897.db2.gz HOJPKWJSFKPVJD-FDFHNCONSA-N 2 0 381.495 4.088 20 0 GIADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000187125718 823014482 /nfs/dbraw/zinc/01/44/82/823014482.db2.gz NGINAWIRUCBPCC-LJQANCHMSA-N 2 0 391.559 4.260 20 0 GIADRP Cc1cc([C@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)c2cccc(Cl)c2)c(C)s1 ZINC000570205591 823015224 /nfs/dbraw/zinc/01/52/24/823015224.db2.gz JYXHXOIOMJMAQQ-YCRPNKLZSA-N 2 0 392.012 4.333 20 0 GIADRP CC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000570470399 823042280 /nfs/dbraw/zinc/04/22/80/823042280.db2.gz HYRDYNJUXKRNHP-HNAYVOBHSA-N 2 0 386.458 4.127 20 0 GIADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(OC)c(Cn3cccn3)c2)c1 ZINC000123977424 823557479 /nfs/dbraw/zinc/55/74/79/823557479.db2.gz CQPVOEOYVVJKHY-IBGZPJMESA-N 2 0 392.547 4.243 20 0 GIADRP O=C1CCCN1C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1 ZINC000411444635 823574754 /nfs/dbraw/zinc/57/47/54/823574754.db2.gz KYBBFDSMIVIJCR-DEOSSOPVSA-N 2 0 391.559 4.126 20 0 GIADRP C[C@@H](CC[NH+]1CCC[C@@H]1C1CCOCC1)CC[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000411507465 823582288 /nfs/dbraw/zinc/58/22/88/823582288.db2.gz ZRDODXMAFWLGCB-LQLSTCSOSA-N 2 0 392.628 4.185 20 0 GIADRP C[C@@H]([NH2+]CCC(=O)Nc1ccc(Cl)cc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411512205 823582844 /nfs/dbraw/zinc/58/28/44/823582844.db2.gz APIIFRVKQLFXCE-CABCVRRESA-N 2 0 381.923 4.050 20 0 GIADRP C[C@H]([NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411518419 823583701 /nfs/dbraw/zinc/58/37/01/823583701.db2.gz PGROBFCFGCTJJD-HOTGVXAUSA-N 2 0 397.485 4.277 20 0 GIADRP C[C@H](CC[NH+]1CCCC[C@H]1c1cc[nH]n1)CC[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000411719334 823599700 /nfs/dbraw/zinc/59/97/00/823599700.db2.gz NMKCPJVZMVFGEO-FJPGZJACSA-N 2 0 384.572 4.303 20 0 GIADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000124514531 823602787 /nfs/dbraw/zinc/60/27/87/823602787.db2.gz CMRBMMWNAMRFFY-CYBMUJFWSA-N 2 0 397.407 4.012 20 0 GIADRP COc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(F)c1 ZINC000124579566 823608203 /nfs/dbraw/zinc/60/82/03/823608203.db2.gz HRPXGDZEFRKCCJ-KSZLIROESA-N 2 0 386.511 4.294 20 0 GIADRP CCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1OCC ZINC000062426533 823634888 /nfs/dbraw/zinc/63/48/88/823634888.db2.gz KUFUSHMAZCQRLZ-JOCHJYFZSA-N 2 0 382.548 4.486 20 0 GIADRP CCCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000062426591 823634906 /nfs/dbraw/zinc/63/49/06/823634906.db2.gz RSRWQIFOWVRUNV-JOCHJYFZSA-N 2 0 382.548 4.486 20 0 GIADRP Cc1c([C@@H](C)[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)cnn1C(C)C ZINC000191187947 823657630 /nfs/dbraw/zinc/65/76/30/823657630.db2.gz GPSYULKDOKHDDZ-OAQYLSRUSA-N 2 0 397.611 4.021 20 0 GIADRP c1csc(C[NH+]2CCC(C[NH2+]C3CCN(CCc4ccccc4)CC3)CC2)c1 ZINC000125464019 823678199 /nfs/dbraw/zinc/67/81/99/823678199.db2.gz HYQVEBBVCHERJW-UHFFFAOYSA-N 2 0 397.632 4.257 20 0 GIADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)CCS2 ZINC000191509091 823693403 /nfs/dbraw/zinc/69/34/03/823693403.db2.gz LUWUAFDDMGJONB-NRFANRHFSA-N 2 0 386.561 4.352 20 0 GIADRP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000163506838 823716402 /nfs/dbraw/zinc/71/64/02/823716402.db2.gz DZFVYTTXPQXTIF-QGZVFWFLSA-N 2 0 385.552 4.019 20 0 GIADRP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000163955057 823765556 /nfs/dbraw/zinc/76/55/56/823765556.db2.gz LTVJYUYIOMHTFP-UQBPGWFLSA-N 2 0 394.559 4.199 20 0 GIADRP C/C=C/COc1ccc(CC[C@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)cc1 ZINC000574646282 823789953 /nfs/dbraw/zinc/78/99/53/823789953.db2.gz GVPITOPHHQZMML-UEKDZROGSA-N 2 0 376.610 4.380 20 0 GIADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000165561932 823853808 /nfs/dbraw/zinc/85/38/08/823853808.db2.gz WAUMJAWNJRGPNS-OHUGHZGNSA-N 2 0 388.559 4.417 20 0 GIADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1sc(-c2ccccc2F)nc1C ZINC000165951175 823866934 /nfs/dbraw/zinc/86/69/34/823866934.db2.gz ZGAAOVIESHAUCD-HOCLYGCPSA-N 2 0 379.545 4.265 20 0 GIADRP CSCc1cc(F)ccc1C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000167113904 823886333 /nfs/dbraw/zinc/88/63/33/823886333.db2.gz FQJFZDPIZOOECR-INIZCTEOSA-N 2 0 376.541 4.480 20 0 GIADRP CCC[NH+]1CCC([NH2+]C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000167899306 823897614 /nfs/dbraw/zinc/89/76/14/823897614.db2.gz DIAAHONJUHCUNZ-UHFFFAOYSA-N 2 0 384.395 4.422 20 0 GIADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414059449 823897762 /nfs/dbraw/zinc/89/77/62/823897762.db2.gz IPRVNMHVOAKTAF-UNMCSNQZSA-N 2 0 378.004 4.374 20 0 GIADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1)C(C)C ZINC000126601787 823909079 /nfs/dbraw/zinc/90/90/79/823909079.db2.gz UHAXZFHRWGNSJW-FYYLOGMGSA-N 2 0 383.580 4.006 20 0 GIADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414102306 823910159 /nfs/dbraw/zinc/91/01/59/823910159.db2.gz XJONDWDEQPSVQQ-AGOPTVSRSA-N 2 0 376.972 4.334 20 0 GIADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000414171947 823922919 /nfs/dbraw/zinc/92/29/19/823922919.db2.gz DNHOFFKPFXAEKV-JXFKEZNVSA-N 2 0 395.385 4.238 20 0 GIADRP CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000126678837 823925468 /nfs/dbraw/zinc/92/54/68/823925468.db2.gz NSLGLTNKWDQKRB-JTSKRJEESA-N 2 0 385.527 4.388 20 0 GIADRP CCOc1cccc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c1 ZINC000126708504 823932363 /nfs/dbraw/zinc/93/23/63/823932363.db2.gz XJXOZWQNZLYTDX-ZWKOTPCHSA-N 2 0 385.527 4.388 20 0 GIADRP COc1ccc(-c2nc3c(s2)[C@H]([NH2+]Cc2ccc(C[NH3+])cc2)CCC3)cc1 ZINC000575181453 823933274 /nfs/dbraw/zinc/93/32/74/823933274.db2.gz DRIAZGPXFCTGRZ-LJQANCHMSA-N 2 0 379.529 4.445 20 0 GIADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(-c2ccc(Cl)cc2F)s1 ZINC000575787927 823995770 /nfs/dbraw/zinc/99/57/70/823995770.db2.gz INLQHJRJCGRKTH-ZDUSSCGKSA-N 2 0 382.932 4.315 20 0 GIADRP O=C(CC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)Nc1ccccc1-c1ccccc1 ZINC000575869281 824016244 /nfs/dbraw/zinc/01/62/44/824016244.db2.gz FBNKGMRCSNFBRY-OAQYLSRUSA-N 2 0 377.532 4.004 20 0 GIADRP C[N@H+](Cc1ccccc1NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)C1CCCCC1 ZINC000414702359 824024712 /nfs/dbraw/zinc/02/47/12/824024712.db2.gz BBGVMGIQPZLILE-WGSAOQKQSA-N 2 0 386.584 4.338 20 0 GIADRP C[C@@H]([NH3+])c1ccc(C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 ZINC000414816032 824039084 /nfs/dbraw/zinc/03/90/84/824039084.db2.gz YXLOIEKQEWSSEX-OAHLLOKOSA-N 2 0 375.919 4.253 20 0 GIADRP O=C(Nc1cccc(C[NH2+]CC[C@H]2CC[NH2+]C2)c1)c1ccc(Cl)cc1Cl ZINC000414834268 824040330 /nfs/dbraw/zinc/04/03/30/824040330.db2.gz QNEPRXYQKKWYFZ-CQSZACIVSA-N 2 0 392.330 4.335 20 0 GIADRP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414856112 824042557 /nfs/dbraw/zinc/04/25/57/824042557.db2.gz NXJAQGYFOABSJS-AGIUHOORSA-N 2 0 391.865 4.054 20 0 GIADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C[NH2+]C[C@H]3c3ccccc3)C2)nc1 ZINC001164627497 719048916 /nfs/dbraw/zinc/04/89/16/719048916.db2.gz VKULXEOAEPNDCW-JBRSBNLGSA-N 2 0 390.575 4.212 20 0 GIADRP Cc1nc(C[N@H+]2CCCC23CCN(c2cc(OC(C)C)cc[nH+]2)CC3)cs1 ZINC001164693106 719809846 /nfs/dbraw/zinc/80/98/46/719809846.db2.gz QHCDTQVXCHQVGI-UHFFFAOYSA-N 2 0 386.565 4.269 20 0 GIADRP Cc1[nH+]c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc2[nH]ccc21 ZINC001164905494 721720163 /nfs/dbraw/zinc/72/01/63/721720163.db2.gz GXTBWYSHHSKBGM-OAQYLSRUSA-N 2 0 397.473 4.004 20 0 GIADRP Cc1cc2[nH]ccc2c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]1 ZINC001165021590 721815100 /nfs/dbraw/zinc/81/51/00/721815100.db2.gz FBCCNKICEGEXNB-RBDMOPTHSA-N 2 0 375.520 4.003 20 0 GIADRP Cc1[nH+]c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc2[nH]ccc21 ZINC001165026772 721821393 /nfs/dbraw/zinc/82/13/93/721821393.db2.gz QEPLTZAUTKVIKN-UCNVEGJOSA-N 2 0 375.520 4.003 20 0 GIADRP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4[nH+]c(C)cc5[nH]ccc54)CC3)C2)cc1 ZINC001164938943 721927378 /nfs/dbraw/zinc/92/73/78/721927378.db2.gz CNFCTJPZDGMXJQ-UHFFFAOYSA-N 2 0 390.531 4.051 20 0 GIADRP OCC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccc(Cl)cc1 ZINC000570592688 823059271 /nfs/dbraw/zinc/05/92/71/823059271.db2.gz GJTJRNOGCUZGPZ-XXTHSBEZSA-N 2 0 384.951 4.264 20 0 GIADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(-c2ccccc2F)s1)CN1CC[NH+](C)CC1 ZINC000120874424 823080727 /nfs/dbraw/zinc/08/07/27/823080727.db2.gz VDRZHQQGAGOMFR-IRXDYDNUSA-N 2 0 375.557 4.088 20 0 GIADRP Cc1ccccc1NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000056156226 823091530 /nfs/dbraw/zinc/09/15/30/823091530.db2.gz CBNKMAWIRDEROR-VQTJNVASSA-N 2 0 379.548 4.486 20 0 GIADRP COc1ccccc1NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000056156181 823091706 /nfs/dbraw/zinc/09/17/06/823091706.db2.gz SIPVBDYJLFKMBF-OALUTQOASA-N 2 0 395.547 4.044 20 0 GIADRP CC1CC[NH+](Cc2ccc(C[NH2+]C3CCN(CC(F)(F)F)CC3)cc2)CC1 ZINC000121039129 823107163 /nfs/dbraw/zinc/10/71/63/823107163.db2.gz APKJNDJUJFDEHD-UHFFFAOYSA-N 2 0 383.502 4.035 20 0 GIADRP [NH3+][C@@H](CCC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000570924144 823108025 /nfs/dbraw/zinc/10/80/25/823108025.db2.gz XARBAOYZGNHUJS-LEWJYISDSA-N 2 0 385.939 4.073 20 0 GIADRP [NH3+][C@@H](CCC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000570924147 823108053 /nfs/dbraw/zinc/10/80/53/823108053.db2.gz XARBAOYZGNHUJS-SFTDATJTSA-N 2 0 385.939 4.073 20 0 GIADRP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000571099586 823132064 /nfs/dbraw/zinc/13/20/64/823132064.db2.gz NIFJKLXXWRCNMT-ZQMYSKGWSA-N 2 0 383.580 4.192 20 0 GIADRP CC[NH+](CC)CCOC1CC[NH+](CCn2ccc3cc(Cl)ccc32)CC1 ZINC000571214917 823149799 /nfs/dbraw/zinc/14/97/99/823149799.db2.gz DOAXEWAVRIKDRG-UHFFFAOYSA-N 2 0 377.960 4.118 20 0 GIADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(OC)c(OC)c2Br)CC1 ZINC000056494173 823159252 /nfs/dbraw/zinc/15/92/52/823159252.db2.gz IJHAKJDIQDZZRX-UHFFFAOYSA-N 2 0 399.373 4.020 20 0 GIADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)[C@H](C)C1 ZINC000459376153 823176401 /nfs/dbraw/zinc/17/64/01/823176401.db2.gz NRHRXTDCZIYIIY-GCJKJVERSA-N 2 0 381.568 4.222 20 0 GIADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)[C@@H](C)C1 ZINC000459376140 823176481 /nfs/dbraw/zinc/17/64/81/823176481.db2.gz NRHRXTDCZIYIIY-AVRDEDQJSA-N 2 0 381.568 4.222 20 0 GIADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccccc1N1CCO[C@H](C)C1 ZINC000459386011 823179608 /nfs/dbraw/zinc/17/96/08/823179608.db2.gz XPXSYIKZPYUBHV-HXUWFJFHSA-N 2 0 381.564 4.043 20 0 GIADRP CC(C)[N@H+](C)Cc1cccc(CNCc2cccc(O)c2Br)c1 ZINC000459393645 823181745 /nfs/dbraw/zinc/18/17/45/823181745.db2.gz MQLUNSPPYALGDU-UHFFFAOYSA-N 2 0 377.326 4.285 20 0 GIADRP COc1cc([C@@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)ccc1OCC(C)C ZINC000459396336 823182629 /nfs/dbraw/zinc/18/26/29/823182629.db2.gz WIJIHUOJHFLHCI-GOSISDBHSA-N 2 0 383.536 4.445 20 0 GIADRP O=C1CC[C@@H](C[N@@H+]2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)CCN1 ZINC000459517901 823209827 /nfs/dbraw/zinc/20/98/27/823209827.db2.gz GDHGNIFGKOOXEH-VWNXMTODSA-N 2 0 397.607 4.060 20 0 GIADRP CCc1nnc(C[N@@H+]2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000459523908 823210967 /nfs/dbraw/zinc/21/09/67/823210967.db2.gz AAERDKLTTXISDG-OAQYLSRUSA-N 2 0 382.552 4.289 20 0 GIADRP CC(C)CCOC1CC[NH+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000121616336 823216576 /nfs/dbraw/zinc/21/65/76/823216576.db2.gz KPKBJSPAGDKSMB-UHFFFAOYSA-N 2 0 387.612 4.244 20 0 GIADRP O=C(CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1)Nc1ccccc1Cl ZINC000121672019 823227468 /nfs/dbraw/zinc/22/74/68/823227468.db2.gz UVUVRWZUHVSYBQ-UHFFFAOYSA-N 2 0 377.960 4.257 20 0 GIADRP COc1cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc(OC)c1OCc1ccccc1 ZINC000459729310 823257570 /nfs/dbraw/zinc/25/75/70/823257570.db2.gz IZCRSGNOEJRYEU-LJQANCHMSA-N 2 0 398.547 4.104 20 0 GIADRP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)C[C@H](C)O1 ZINC000571970493 823263067 /nfs/dbraw/zinc/26/30/67/823263067.db2.gz JCQZMSRZWXRTNW-RMNGQBEXSA-N 2 0 393.575 4.054 20 0 GIADRP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)C[C@@H](c3ccccc3)[NH+](C)C)C2)s1 ZINC000572126459 823287028 /nfs/dbraw/zinc/28/70/28/823287028.db2.gz FVGGKAVCMDCHAK-UGKGYDQZSA-N 2 0 399.604 4.030 20 0 GIADRP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)C[C@H](c3ccccc3)[NH+](C)C)C2)s1 ZINC000572126458 823287187 /nfs/dbraw/zinc/28/71/87/823287187.db2.gz FVGGKAVCMDCHAK-SIKLNZKXSA-N 2 0 399.604 4.030 20 0 GIADRP COCCCOc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000572186073 823296555 /nfs/dbraw/zinc/29/65/55/823296555.db2.gz LFRVGKIFSITSCB-BKFWDETESA-N 2 0 394.559 4.387 20 0 GIADRP Cc1cnc(CC[N@@H+](C)[C@H]2CCC[NH+](CCc3ncc(C)cc3C)CC2)c(C)c1 ZINC000572280821 823312380 /nfs/dbraw/zinc/31/23/80/823312380.db2.gz RJUHHBCTFOLCRW-QHCPKHFHSA-N 2 0 394.607 4.282 20 0 GIADRP COc1cc2c(cc1C[NH2+]Cc1ccc(C[NH+]3CCCCC3)cc1)O[C@@H](C)C2 ZINC000015580676 818342221 /nfs/dbraw/zinc/34/22/21/818342221.db2.gz JVYSIEWCHLUDCD-SFHVURJKSA-N 2 0 380.532 4.294 20 0 GIADRP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(Br)s1 ZINC000122302291 823334917 /nfs/dbraw/zinc/33/49/17/823334917.db2.gz SAKJBFKZULLMMF-CYBMUJFWSA-N 2 0 383.355 4.302 20 0 GIADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000027606563 820266994 /nfs/dbraw/zinc/26/69/94/820266994.db2.gz AJTOGJWUUBOFGX-NRFANRHFSA-N 2 0 397.588 4.301 20 0 GIADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)n1 ZINC000123520190 823516855 /nfs/dbraw/zinc/51/68/55/823516855.db2.gz CGXZSJLYBKSRSQ-HXUWFJFHSA-N 2 0 392.547 4.280 20 0 GIADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)c1ccc2c(c1)CCO2 ZINC000177751412 823520605 /nfs/dbraw/zinc/52/06/05/823520605.db2.gz WLOXUEIXJDVRDH-QRVBRYPASA-N 2 0 380.532 4.082 20 0 GIADRP C[NH+](C)C1CCN(CC[NH2+][C@H](c2ccc(F)cc2)c2ccccc2Cl)CC1 ZINC000180711775 821410742 /nfs/dbraw/zinc/41/07/42/821410742.db2.gz KUOHJLWYPFKEFM-JOCHJYFZSA-N 2 0 389.946 4.184 20 0 GIADRP CN(c1ccccc1C[NH2+]Cc1ccc(OC(C)(C)C)nc1)C1CC[NH+](C)CC1 ZINC000180889427 821516905 /nfs/dbraw/zinc/51/69/05/821516905.db2.gz LRCZBUOOYVRDDX-UHFFFAOYSA-N 2 0 396.579 4.079 20 0 GIADRP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c2ccccc21 ZINC000180976239 821568503 /nfs/dbraw/zinc/56/85/03/821568503.db2.gz DYNGIMWRIZRUGC-NTKDMRAZSA-N 2 0 391.559 4.240 20 0 GIADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(Cl)c(Cl)c1 ZINC000180999424 821584292 /nfs/dbraw/zinc/58/42/92/821584292.db2.gz QXMURCDFRXZRPM-AWEZNQCLSA-N 2 0 394.346 4.136 20 0 GIADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cc(Cl)ccc1Cl ZINC000180999486 821585127 /nfs/dbraw/zinc/58/51/27/821585127.db2.gz MUSCQWYNWHXQHA-CQSZACIVSA-N 2 0 394.346 4.136 20 0 GIADRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cc2cc(Cl)ccc2o1 ZINC000181456405 821834396 /nfs/dbraw/zinc/83/43/96/821834396.db2.gz GJLFSYGZHOHGGL-HNNXBMFYSA-N 2 0 384.911 4.084 20 0 GIADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccc(NC(C)=O)cc3)CC2)cc1 ZINC000182032140 822068516 /nfs/dbraw/zinc/06/85/16/822068516.db2.gz MARKDEOGUWKGCV-SFHVURJKSA-N 2 0 395.547 4.216 20 0 GIADRP C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000182161238 822124630 /nfs/dbraw/zinc/12/46/30/822124630.db2.gz LGFDCVPUXBJFMU-ITEAAPOESA-N 2 0 390.474 4.086 20 0 GIADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]Cc2ccc(NC(C)=O)cc2)ccc1OC ZINC000182259455 822173056 /nfs/dbraw/zinc/17/30/56/822173056.db2.gz QCWFINKPEKUCGM-KRWDZBQOSA-N 2 0 383.536 4.346 20 0 GIADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccccc1OC(F)(F)F ZINC000182263161 822176072 /nfs/dbraw/zinc/17/60/72/822176072.db2.gz RFWPCDSHGQPNBE-QAPCUYQASA-N 2 0 394.437 4.003 20 0 GIADRP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000182267156 822179038 /nfs/dbraw/zinc/17/90/38/822179038.db2.gz FLHKRUACNXWQAY-URXFXBBRSA-N 2 0 394.559 4.380 20 0 GIADRP Cc1nc(C)c([C@@H](C)[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)s1 ZINC000178211523 822353844 /nfs/dbraw/zinc/35/38/44/822353844.db2.gz NTCMJCNUHRLZHU-GOSISDBHSA-N 2 0 386.609 4.009 20 0 GIADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccc2ccccc2n1 ZINC000178307248 822365879 /nfs/dbraw/zinc/36/58/79/822365879.db2.gz BOYDFVGFTISKNF-GOSISDBHSA-N 2 0 375.516 4.042 20 0 GIADRP COc1cccc([C@H](O)C[NH2+][C@H](C)c2ccc(OC)c(C[NH+]3CCCCC3)c2)c1 ZINC000182944104 822397743 /nfs/dbraw/zinc/39/77/43/822397743.db2.gz UYNVOQPOZTZMEC-WZONZLPQSA-N 2 0 398.547 4.074 20 0 GIADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000178634619 822398071 /nfs/dbraw/zinc/39/80/71/822398071.db2.gz HEIDGFRCTCCSNE-IBGZPJMESA-N 2 0 393.531 4.206 20 0 GIADRP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182950206 822398559 /nfs/dbraw/zinc/39/85/59/822398559.db2.gz NHXRCFGPKFNBBG-LJQANCHMSA-N 2 0 383.536 4.227 20 0 GIADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)ccc1OC ZINC000182963965 822400664 /nfs/dbraw/zinc/40/06/64/822400664.db2.gz GYUKISFWVRLLSZ-SJORKVTESA-N 2 0 398.551 4.439 20 0 GIADRP FC(F)Sc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000182994022 822407604 /nfs/dbraw/zinc/40/76/04/822407604.db2.gz XTEYZYKRWTWTSE-FOIQADDNSA-N 2 0 396.547 4.469 20 0 GIADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCSc4c(F)cccc43)cc2)CC1 ZINC000178794914 822410569 /nfs/dbraw/zinc/41/05/69/822410569.db2.gz BSMXNWKOZRVBSH-NRFANRHFSA-N 2 0 386.536 4.109 20 0 GIADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)c1 ZINC000178853720 822416401 /nfs/dbraw/zinc/41/64/01/822416401.db2.gz DLHMPNSDQQSPRW-UHFFFAOYSA-N 2 0 384.474 4.485 20 0 GIADRP COc1ccc([C@H](C)[NH2+][C@@H](C)C[C@@H](O)c2ccco2)cc1C[NH+]1CCCCC1 ZINC000183146745 822430960 /nfs/dbraw/zinc/43/09/60/822430960.db2.gz GTQIIDMTQRWLAD-BBTUJRGHSA-N 2 0 386.536 4.437 20 0 GIADRP COc1ccc([C@H](C)[NH2+][C@@H](C)C[C@H](O)c2ccco2)cc1C[NH+]1CCCCC1 ZINC000183146705 822431040 /nfs/dbraw/zinc/43/10/40/822431040.db2.gz GTQIIDMTQRWLAD-WFXMLNOXSA-N 2 0 386.536 4.437 20 0 GIADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1ncc(Br)s1 ZINC000179212701 822452078 /nfs/dbraw/zinc/45/20/78/822452078.db2.gz CZNYLLVOSJSBQX-CQSZACIVSA-N 2 0 394.382 4.468 20 0 GIADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC000454335850 822459408 /nfs/dbraw/zinc/45/94/08/822459408.db2.gz YJZVQBUVUYQKGK-QHCPKHFHSA-N 2 0 392.547 4.022 20 0 GIADRP CCOc1ccc([C@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1OCC ZINC000179468817 822487292 /nfs/dbraw/zinc/48/72/92/822487292.db2.gz IWPROEUWRAHQIJ-SFHVURJKSA-N 2 0 383.536 4.446 20 0 GIADRP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3cncc(Br)c3)c2)CC1 ZINC000183700277 822513623 /nfs/dbraw/zinc/51/36/23/822513623.db2.gz DAWPDRWTICXOBA-UHFFFAOYSA-N 2 0 388.353 4.366 20 0 GIADRP CC[NH+]1CCN(CCC[NH2+][C@H](c2cccc(F)c2)c2cccc(Cl)c2)CC1 ZINC000180109632 822617221 /nfs/dbraw/zinc/61/72/21/822617221.db2.gz NAHDDOWFQGSHFH-QFIPXVFZSA-N 2 0 389.946 4.186 20 0 GIADRP CC[NH+]1CCN(CCC[NH2+][C@@H](c2cccc(F)c2)c2cccc(Cl)c2)CC1 ZINC000180109615 822617295 /nfs/dbraw/zinc/61/72/95/822617295.db2.gz NAHDDOWFQGSHFH-JOCHJYFZSA-N 2 0 389.946 4.186 20 0 GIADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH2+]CC2CCN(c4cc[nH+]cc4)CC2)C3)cc1 ZINC000180172058 822631868 /nfs/dbraw/zinc/63/18/68/822631868.db2.gz GVKHYJTYVLYDAP-WINZOAQQSA-N 3 0 390.575 4.083 20 0 GIADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)cc1 ZINC000180179999 822633549 /nfs/dbraw/zinc/63/35/49/822633549.db2.gz ZJEWECFVNYQKCM-QHCPKHFHSA-N 2 0 397.538 4.138 20 0 GIADRP CCC(CC)[C@H]1C[C@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000180374898 822671754 /nfs/dbraw/zinc/67/17/54/822671754.db2.gz CFKBUMBIEAVTTH-ZJSXRUAMSA-N 2 0 387.612 4.290 20 0 GIADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000048714298 822679425 /nfs/dbraw/zinc/67/94/25/822679425.db2.gz GOTWLANFUWKGSQ-GOSISDBHSA-N 2 0 398.551 4.008 20 0 GIADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)ccc21 ZINC000455880818 822741710 /nfs/dbraw/zinc/74/17/10/822741710.db2.gz SGNMPPKEBPRIMF-LEWJYISDSA-N 2 0 396.535 4.177 20 0 GIADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)ccc21 ZINC000455887882 822742831 /nfs/dbraw/zinc/74/28/31/822742831.db2.gz XGXGSKSGLOIRJZ-UXHICEINSA-N 2 0 398.576 4.256 20 0 GIADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCC(CCC[NH+]4CCCC4)CC3)ccc21 ZINC000455932468 822752131 /nfs/dbraw/zinc/75/21/31/822752131.db2.gz PWUWZYQAEZZSRE-HSZRJFAPSA-N 2 0 398.595 4.355 20 0 GIADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@@H](c2ccccc2)C(C)C)CC1 ZINC000052006982 822786530 /nfs/dbraw/zinc/78/65/30/822786530.db2.gz CLPPCVGIZFNCSQ-RUZDIDTESA-N 2 0 393.575 4.063 20 0 GIADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(Oc3cnccn3)cc2)c1 ZINC000174413821 822786834 /nfs/dbraw/zinc/78/68/34/822786834.db2.gz XHFAQXINPKSVDY-UHFFFAOYSA-N 2 0 376.504 4.399 20 0 GIADRP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccc(Br)cc1O ZINC000185459688 822786907 /nfs/dbraw/zinc/78/69/07/822786907.db2.gz OMRLYAORRREHPC-GFCCVEGCSA-N 2 0 381.289 4.206 20 0 GIADRP CC[N@H+](Cc1ccc(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)cc1)C1CC1 ZINC000456256676 822790783 /nfs/dbraw/zinc/79/07/83/822790783.db2.gz CRSIKCVMWCEREC-QHCPKHFHSA-N 2 0 377.532 4.472 20 0 GIADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)c3ccc(C[NH+]4CCSCC4)cc3)ccc21 ZINC000456272849 822792309 /nfs/dbraw/zinc/79/23/09/822792309.db2.gz LOEOYBDMDKYNCU-QFIPXVFZSA-N 2 0 395.572 4.037 20 0 GIADRP C[C@@H]1C[C@H](N(C)C(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)CC[N@@H+]1C ZINC000174526051 822800987 /nfs/dbraw/zinc/80/09/87/822800987.db2.gz FJRYUAAHLVDCOK-WIYYLYMNSA-N 2 0 386.584 4.398 20 0 GIADRP C[C@@H]([NH2+]Cc1ccc(SC(=O)N(C)C)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185683158 822809683 /nfs/dbraw/zinc/80/96/83/822809683.db2.gz ABOOBTFWYLWHLB-AEFFLSMTSA-N 2 0 375.582 4.203 20 0 GIADRP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC000186366337 822882678 /nfs/dbraw/zinc/88/26/78/822882678.db2.gz QUBHBTODVOBWMO-UHFFFAOYSA-N 2 0 398.547 4.342 20 0 GIADRP CCCOC[C@H](Cc1cccc(Br)c1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000186503321 822905854 /nfs/dbraw/zinc/90/58/54/822905854.db2.gz VFQUSOPRFQCPAS-SLFFLAALSA-N 2 0 395.385 4.003 20 0 GIADRP CC[NH+]1CCC(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(C)o2)CC1 ZINC000569368286 822911903 /nfs/dbraw/zinc/91/19/03/822911903.db2.gz IOADNXUTTFLEBG-UHFFFAOYSA-N 2 0 378.520 4.262 20 0 GIADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC000186590018 822918589 /nfs/dbraw/zinc/91/85/89/822918589.db2.gz HWDRULQTFGKYLC-OLZOCXBDSA-N 2 0 378.775 4.323 20 0 GIADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000186593781 822919847 /nfs/dbraw/zinc/91/98/47/822919847.db2.gz RNHXRWYYKQCJGO-PMACEKPBSA-N 2 0 399.554 4.081 20 0 GIADRP C[NH+](C)CCC1CC[NH+]([C@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC1 ZINC000175448796 822971342 /nfs/dbraw/zinc/97/13/42/822971342.db2.gz ALKUPNFFYJRFFY-QFIPXVFZSA-N 2 0 390.531 4.490 20 0 GIADRP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000569928283 822986852 /nfs/dbraw/zinc/98/68/52/822986852.db2.gz AHBODLRVVJNTRQ-FVQBIDKESA-N 2 0 394.441 4.138 20 0 GIADRP O=C(Nc1ccc(F)cc1)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000570153481 823010952 /nfs/dbraw/zinc/01/09/52/823010952.db2.gz HOJPKWJSFKPVJD-YPAWHYETSA-N 2 0 381.495 4.088 20 0 GIADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000187125735 823014563 /nfs/dbraw/zinc/01/45/63/823014563.db2.gz NGINAWIRUCBPCC-IBGZPJMESA-N 2 0 391.559 4.260 20 0 GIADRP C[C@@H]([NH2+]C1(CNC(=O)Nc2cccc3c2CC[NH2+]C3)CCCC1)c1ccccc1 ZINC000570425488 823036451 /nfs/dbraw/zinc/03/64/51/823036451.db2.gz WFRBDXWSLLEYQL-GOSISDBHSA-N 2 0 392.547 4.117 20 0 GIADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000060580880 823544543 /nfs/dbraw/zinc/54/45/43/823544543.db2.gz BJQGIDHWBKWYAV-DEOSSOPVSA-N 2 0 393.575 4.057 20 0 GIADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@H]1C ZINC000411303832 823563583 /nfs/dbraw/zinc/56/35/83/823563583.db2.gz HNENUMCDVPQNJU-NFBKMPQASA-N 2 0 393.575 4.087 20 0 GIADRP CC(C)n1cnnc1[C@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411389695 823568894 /nfs/dbraw/zinc/56/88/94/823568894.db2.gz OPHNTLHGODMODB-QFIPXVFZSA-N 2 0 381.568 4.225 20 0 GIADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCC(=O)Nc1ccccc1Cl ZINC000411537542 823586192 /nfs/dbraw/zinc/58/61/92/823586192.db2.gz VTWMKXBHOKXFJX-CYGODWOOSA-N 2 0 399.966 4.415 20 0 GIADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1Cl ZINC000411553277 823587837 /nfs/dbraw/zinc/58/78/37/823587837.db2.gz QVUPQYZEWFBSEU-PXNSSMCTSA-N 2 0 385.939 4.169 20 0 GIADRP Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411690794 823597242 /nfs/dbraw/zinc/59/72/42/823597242.db2.gz IEBAIIJYSSBEMJ-NOTZXAQLSA-N 2 0 378.564 4.317 20 0 GIADRP CC(CC[NH2+][C@H]1CCCC12CCOCC2)CC[NH2+][C@H]1CCCC12CCOCC2 ZINC000411696054 823597704 /nfs/dbraw/zinc/59/77/04/823597704.db2.gz UEUDHVKWOFWERR-VXKWHMMOSA-N 2 0 392.628 4.281 20 0 GIADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000124646721 823613992 /nfs/dbraw/zinc/61/39/92/823613992.db2.gz AQRRDLHSTALKBU-KRWDZBQOSA-N 2 0 378.630 4.176 20 0 GIADRP C[C@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c2ccsc2S1 ZINC000124670204 823615757 /nfs/dbraw/zinc/61/57/57/823615757.db2.gz PSQHLIRVSCFDCU-WMZOPIPTSA-N 2 0 379.639 4.213 20 0 GIADRP CC(=O)Nc1cccc([C@H](C)[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000124680204 823616891 /nfs/dbraw/zinc/61/68/91/823616891.db2.gz WHZNTSNYQOWPPW-FHWLQOOXSA-N 2 0 379.548 4.452 20 0 GIADRP Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000191013713 823638345 /nfs/dbraw/zinc/63/83/45/823638345.db2.gz LKFDSUCTSPWMLB-UHFFFAOYSA-N 2 0 392.465 4.260 20 0 GIADRP COc1ccc2oc(C[NH2+][C@@H](C)c3cc(F)ccc3N3CC[NH+](C)CC3)cc2c1 ZINC000125021517 823645667 /nfs/dbraw/zinc/64/56/67/823645667.db2.gz RCKFCUVPIKDHON-INIZCTEOSA-N 2 0 397.494 4.183 20 0 GIADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3cc(C)c(OC)c(C)c3)CC2)cc1 ZINC000063319524 823661962 /nfs/dbraw/zinc/66/19/62/823661962.db2.gz DBRZWPNJBGVSJB-UHFFFAOYSA-N 2 0 382.548 4.322 20 0 GIADRP CSc1ccc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)s1 ZINC000574328555 823703338 /nfs/dbraw/zinc/70/33/38/823703338.db2.gz SAXBGRXUYXVPNQ-UHFFFAOYSA-N 2 0 381.655 4.098 20 0 GIADRP CC(C)[NH+]1CCN(CCC[N@H+](Cc2cccc(-c3cccnc3)c2)C2CC2)CC1 ZINC000191589009 823705212 /nfs/dbraw/zinc/70/52/12/823705212.db2.gz UBQNWMOGVYPZAN-UHFFFAOYSA-N 2 0 392.591 4.129 20 0 GIADRP C[NH+](C)CCCCC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000574424232 823725644 /nfs/dbraw/zinc/72/56/44/823725644.db2.gz QNJKNEWVBDGEPI-UXGKSEPASA-N 2 0 391.987 4.102 20 0 GIADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Br)cc3cccnc32)[C@H](C)C1 ZINC000163653465 823733050 /nfs/dbraw/zinc/73/30/50/823733050.db2.gz WFHCFRJHQITFCQ-KDOFPFPSSA-N 2 0 376.342 4.159 20 0 GIADRP CSC1(C[NH2+][C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)CC[NH+](C)CC1 ZINC000574493029 823747052 /nfs/dbraw/zinc/74/70/52/823747052.db2.gz LKNKMMWOABHKKC-OAQYLSRUSA-N 2 0 397.588 4.092 20 0 GIADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000125952494 823751797 /nfs/dbraw/zinc/75/17/97/823751797.db2.gz LNCJHDMYEDYFPJ-KBXCAEBGSA-N 2 0 383.964 4.022 20 0 GIADRP C[N@H+](CCOc1cccc(C[NH2+][C@@H]2CCc3cc(F)ccc32)c1)C1CCOCC1 ZINC000163933902 823762648 /nfs/dbraw/zinc/76/26/48/823762648.db2.gz NAPABHOVLWDWRE-XMMPIXPASA-N 2 0 398.522 4.092 20 0 GIADRP C[N@H+](CCOc1cccc(C[NH2+][C@H]2CCc3ccc(F)cc32)c1)C1CCOCC1 ZINC000163962274 823766147 /nfs/dbraw/zinc/76/61/47/823766147.db2.gz SCASHISCQRGZDT-DEOSSOPVSA-N 2 0 398.522 4.092 20 0 GIADRP CC[C@@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1cccs1 ZINC000163957453 823766364 /nfs/dbraw/zinc/76/63/64/823766364.db2.gz MSFUMWOQMSFACN-OAQYLSRUSA-N 2 0 388.577 4.479 20 0 GIADRP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000126015908 823766704 /nfs/dbraw/zinc/76/67/04/823766704.db2.gz CWCFIWSJPCPCCC-UWJYYQICSA-N 2 0 394.625 4.420 20 0 GIADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)c1ccc(-n2cncn2)cc1 ZINC000164190226 823784752 /nfs/dbraw/zinc/78/47/52/823784752.db2.gz RFVWVTCYOKPIJH-FQEVSTJZSA-N 2 0 389.547 4.494 20 0 GIADRP C[C@H](C[NH2+][C@H](C)c1ccc(-c2c(F)cccc2F)cc1)CN1CC[NH+](C)CC1 ZINC000574728365 823811718 /nfs/dbraw/zinc/81/17/18/823811718.db2.gz NJKRREFLVOQBOG-QZTJIDSGSA-N 2 0 387.518 4.166 20 0 GIADRP COCc1cc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)ccc1OC ZINC000165324739 823843350 /nfs/dbraw/zinc/84/33/50/823843350.db2.gz ZNQFBVCIPIZPSW-CTNGQTDRSA-N 2 0 382.548 4.057 20 0 GIADRP Cc1cc(C[NH+](C)C)cc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000165371605 823845985 /nfs/dbraw/zinc/84/59/85/823845985.db2.gz OZKMVHCQTKJJJG-UHFFFAOYSA-N 2 0 379.548 4.297 20 0 GIADRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000574883185 823850884 /nfs/dbraw/zinc/85/08/84/823850884.db2.gz BHTAMDJSWCGOHX-QGZVFWFLSA-N 2 0 387.518 4.308 20 0 GIADRP C[NH+](C)CCOc1ccc(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)c(F)c1 ZINC000413917503 823865666 /nfs/dbraw/zinc/86/56/66/823865666.db2.gz QEQNRWPGTBXOII-UHFFFAOYSA-N 2 0 399.510 4.004 20 0 GIADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000165934557 823866179 /nfs/dbraw/zinc/86/61/79/823866179.db2.gz RCJRUJWWJLMLJC-RDTXWAMCSA-N 2 0 379.545 4.265 20 0 GIADRP Fc1ccc(CN2CCC([NH2+]C3CC[NH+](C4CCCCC4)CC3)CC2)cc1F ZINC000166152693 823871169 /nfs/dbraw/zinc/87/11/69/823871169.db2.gz BPZAVEVZISYJDW-UHFFFAOYSA-N 2 0 391.550 4.316 20 0 GIADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]C3CCN(CCC(F)(F)F)CC3)cc2)C1 ZINC000575084822 823907164 /nfs/dbraw/zinc/90/71/64/823907164.db2.gz HWZXGWYVTDJCTR-GOSISDBHSA-N 2 0 397.529 4.425 20 0 GIADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414102313 823910051 /nfs/dbraw/zinc/91/00/51/823910051.db2.gz XJONDWDEQPSVQQ-KVJIRVJXSA-N 2 0 376.972 4.334 20 0 GIADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414102308 823910306 /nfs/dbraw/zinc/91/03/06/823910306.db2.gz XJONDWDEQPSVQQ-HLRQEUIKSA-N 2 0 376.972 4.334 20 0 GIADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000126662269 823921739 /nfs/dbraw/zinc/92/17/39/823921739.db2.gz JWGRCDQWLREZIR-KRWDZBQOSA-N 2 0 386.609 4.173 20 0 GIADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000414171669 823922145 /nfs/dbraw/zinc/92/21/45/823922145.db2.gz DKBHCUKWQJMPOK-STQMWFEESA-N 2 0 378.410 4.272 20 0 GIADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414295650 823953601 /nfs/dbraw/zinc/95/36/01/823953601.db2.gz DGOOEDUCTFVZJS-QGZVFWFLSA-N 2 0 387.593 4.253 20 0 GIADRP CC(C)Oc1ccc([C@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000414298330 823953666 /nfs/dbraw/zinc/95/36/66/823953666.db2.gz GYPSOYZOEIRZKF-FQEVSTJZSA-N 2 0 382.548 4.152 20 0 GIADRP CC[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)s1 ZINC000414303009 823954237 /nfs/dbraw/zinc/95/42/37/823954237.db2.gz LERCIOJMEZSINJ-KRWDZBQOSA-N 2 0 378.969 4.469 20 0 GIADRP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1cccc(Cl)c1 ZINC000414333844 823960311 /nfs/dbraw/zinc/96/03/11/823960311.db2.gz WQAXTBBGWJKUBY-QFIPXVFZSA-N 2 0 399.966 4.278 20 0 GIADRP CCOc1cc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)ccc1OCC(F)(F)F ZINC000414815867 824039147 /nfs/dbraw/zinc/03/91/47/824039147.db2.gz YPDKQIRKFQFZQX-CQSZACIVSA-N 2 0 382.426 4.336 20 0 GIADRP Fc1ccc(-c2n[nH]cc2C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000575962641 824039353 /nfs/dbraw/zinc/03/93/53/824039353.db2.gz OFOAKIGNGHVLMA-IFMALSPDSA-N 2 0 390.506 4.170 20 0 GIADRP Brc1cccc(-c2nc(C[NH2+]CC[C@@H]3CCC[NH2+]C3)cs2)c1 ZINC000414830876 824040238 /nfs/dbraw/zinc/04/02/38/824040238.db2.gz CNVRKMXZVPLMCC-ZDUSSCGKSA-N 2 0 380.355 4.052 20 0 GIADRP O=C(Nc1cccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1)c1ccc(Cl)cc1Cl ZINC000414834263 824040279 /nfs/dbraw/zinc/04/02/79/824040279.db2.gz QNEPRXYQKKWYFZ-AWEZNQCLSA-N 2 0 392.330 4.335 20 0 GIADRP O=C(Nc1cccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1)c1ccc(Cl)cc1Cl ZINC000414841188 824040832 /nfs/dbraw/zinc/04/08/32/824040832.db2.gz YYKJFJDPHQMCPE-OAHLLOKOSA-N 2 0 392.330 4.335 20 0 GIADRP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414916719 824050158 /nfs/dbraw/zinc/05/01/58/824050158.db2.gz QEJLSTYNMNYDSW-SJKOYZFVSA-N 2 0 391.865 4.055 20 0 GIADRP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414965396 824054812 /nfs/dbraw/zinc/05/48/12/824054812.db2.gz FSBJPHUQZYOJQF-STQMWFEESA-N 2 0 391.865 4.198 20 0 GIADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000414966224 824055186 /nfs/dbraw/zinc/05/51/86/824055186.db2.gz OGTDZCWQJAZHJQ-GGAORHGYSA-N 2 0 398.595 4.101 20 0 GIADRP CC[N@@H+]1CCCC[C@H]1c1ccc(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)nc1 ZINC001164413134 718881856 /nfs/dbraw/zinc/88/18/56/718881856.db2.gz CDPBXKRMFXFWKH-ZWKOTPCHSA-N 2 0 396.501 4.282 20 0 GIADRP CC(C)(c1ccnc(Cl)c1)[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164958043 722025103 /nfs/dbraw/zinc/02/51/03/722025103.db2.gz DUCJHORBKXNGQN-UHFFFAOYSA-N 2 0 384.955 4.353 20 0 GIADRP C[N@H+](CCC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)C1CCCCC1 ZINC000120759695 823058521 /nfs/dbraw/zinc/05/85/21/823058521.db2.gz YLDJLUFOYLNUOZ-UHFFFAOYSA-N 2 0 391.987 4.189 20 0 GIADRP C[NH+](C)Cc1cc(C[NH2+][C@H]2CCc3cc(Br)ccc32)ccc1F ZINC000120844464 823075256 /nfs/dbraw/zinc/07/52/56/823075256.db2.gz IAPISJJMSPMASE-IBGZPJMESA-N 2 0 377.301 4.427 20 0 GIADRP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccc(OCc2nccn2C)cc1 ZINC000120877223 823080873 /nfs/dbraw/zinc/08/08/73/823080873.db2.gz RIMVVKVDPNDOSX-KRWDZBQOSA-N 2 0 396.510 4.051 20 0 GIADRP COc1cc(OC)c([C@@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cc1Cl ZINC000120963261 823094012 /nfs/dbraw/zinc/09/40/12/823094012.db2.gz SQNJEDRQVGNMTA-CYBMUJFWSA-N 2 0 380.891 4.409 20 0 GIADRP [NH3+][C@H](CCC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000570924145 823108013 /nfs/dbraw/zinc/10/80/13/823108013.db2.gz XARBAOYZGNHUJS-NHCUHLMSSA-N 2 0 385.939 4.073 20 0 GIADRP C[C@H](C[NH2+][C@@H](C)c1ccc(SC2CCCC2)cc1)CN1CC[NH+](C)CC1 ZINC000121080163 823114912 /nfs/dbraw/zinc/11/49/12/823114912.db2.gz IAPTXXOYACFKJD-MOPGFXCFSA-N 2 0 375.626 4.255 20 0 GIADRP CN(C)[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)c1cccc(F)c1 ZINC000571045963 823124444 /nfs/dbraw/zinc/12/44/44/823124444.db2.gz QTIPYAKEIKVFDV-DHIUTWEWSA-N 2 0 381.539 4.215 20 0 GIADRP Cc1c([C@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cnn1-c1ccc(F)cc1 ZINC000459390991 823181175 /nfs/dbraw/zinc/18/11/75/823181175.db2.gz JQQBITKWDJNGCM-INIZCTEOSA-N 2 0 379.483 4.034 20 0 GIADRP Clc1ccccc1C[NH+]1CCC(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000459398548 823183465 /nfs/dbraw/zinc/18/34/65/823183465.db2.gz IODYTWVRCAHSIG-UHFFFAOYSA-N 3 0 398.982 4.206 20 0 GIADRP FC(F)(F)c1cccc(C2(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)CC2)c1 ZINC000459413919 823187649 /nfs/dbraw/zinc/18/76/49/823187649.db2.gz YBXARIZKCQHXCW-UHFFFAOYSA-N 2 0 375.438 4.391 20 0 GIADRP C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000188112686 823188290 /nfs/dbraw/zinc/18/82/90/823188290.db2.gz CBCIYWHWZBGIEM-ILBGXUMGSA-N 2 0 378.560 4.243 20 0 GIADRP Clc1cccc([C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)c2ccccn2)c1 ZINC000459443457 823193037 /nfs/dbraw/zinc/19/30/37/823193037.db2.gz PZMHRLVOIVSMBR-JOCHJYFZSA-N 2 0 378.907 4.478 20 0 GIADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)Cn1c2ccccc2c2ccccc21 ZINC000571516381 823194917 /nfs/dbraw/zinc/19/49/17/823194917.db2.gz MZMRUEJNDDOFGZ-NRFANRHFSA-N 2 0 391.559 4.152 20 0 GIADRP CCOc1cc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc(Cl)c1O ZINC000459483991 823201949 /nfs/dbraw/zinc/20/19/49/823201949.db2.gz NDJWGYLEAFCJJF-UHFFFAOYSA-N 2 0 389.927 4.188 20 0 GIADRP FC(F)(F)c1ccc(C2(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)CC2)cc1 ZINC000459507980 823207004 /nfs/dbraw/zinc/20/70/04/823207004.db2.gz JUQVYWMXPBOCFY-UHFFFAOYSA-N 2 0 375.438 4.391 20 0 GIADRP CCn1c(C)nnc1C[N@@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459528863 823212525 /nfs/dbraw/zinc/21/25/25/823212525.db2.gz RBKKWLMNGIAUCV-HSZRJFAPSA-N 2 0 395.595 4.263 20 0 GIADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(-n2cncn2)cc1 ZINC000121655368 823223733 /nfs/dbraw/zinc/22/37/33/823223733.db2.gz DQJVCHNAZFWOCX-FQEVSTJZSA-N 2 0 389.547 4.494 20 0 GIADRP C[C@@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)c1cccc(OCC[NH+](C)C)c1 ZINC000121835235 823259940 /nfs/dbraw/zinc/25/99/40/823259940.db2.gz QEFZJSRUVIQEGY-MOPGFXCFSA-N 2 0 378.520 4.225 20 0 GIADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000122113396 823308231 /nfs/dbraw/zinc/30/82/31/823308231.db2.gz VGAIQSXIKVTFLA-UHFFFAOYSA-N 2 0 389.515 4.051 20 0 GIADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCCC[NH+]2CCc3ccccc3C2)cc1 ZINC000409881545 823335062 /nfs/dbraw/zinc/33/50/62/823335062.db2.gz DMFFHWIXXXTNMX-UHFFFAOYSA-N 2 0 393.575 4.097 20 0 GIADRP Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000057843948 823340561 /nfs/dbraw/zinc/34/05/61/823340561.db2.gz IBGGETSJTDLLEN-FQEVSTJZSA-N 2 0 379.548 4.166 20 0 GIADRP CC[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1 ZINC000017313539 818508639 /nfs/dbraw/zinc/50/86/39/818508639.db2.gz DBNNTMXMSXFVEV-UHFFFAOYSA-N 2 0 378.495 4.252 20 0 GIADRP CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000460352040 823361221 /nfs/dbraw/zinc/36/12/21/823361221.db2.gz UYGIHQOONBCXKM-LSWJPFSZSA-N 2 0 385.596 4.104 20 0 GIADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3ccc(SC)s3)CC2)cc1 ZINC000572651462 823375563 /nfs/dbraw/zinc/37/55/63/823375563.db2.gz ASXUUCZFODDQCE-UHFFFAOYSA-N 2 0 376.591 4.480 20 0 GIADRP C[C@@H]([NH2+][C@@H](CCO)c1ccc(Cl)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000572671521 823379631 /nfs/dbraw/zinc/37/96/31/823379631.db2.gz IOFKNYXDFIQLFM-IERDGZPVSA-N 2 0 376.928 4.055 20 0 GIADRP C[C@@H]([NH2+][C@H](CCO)c1ccc(Cl)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000572671522 823379709 /nfs/dbraw/zinc/37/97/09/823379709.db2.gz IOFKNYXDFIQLFM-IIBYNOLFSA-N 2 0 376.928 4.055 20 0 GIADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000189273146 823384641 /nfs/dbraw/zinc/38/46/41/823384641.db2.gz CAXQVBLCMUMBPL-ZJSXRUAMSA-N 2 0 378.560 4.144 20 0 GIADRP CCOc1ccccc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000573097112 823446640 /nfs/dbraw/zinc/44/66/40/823446640.db2.gz HCQBNYJITXWCHD-QHCPKHFHSA-N 2 0 394.559 4.104 20 0 GIADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CSc2ccc(Br)cc21 ZINC000573082248 823445172 /nfs/dbraw/zinc/44/51/72/823445172.db2.gz BNYHBUOVSCHMDA-MEDUHNTESA-N 2 0 378.339 4.109 20 0 GIADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000123006803 823447200 /nfs/dbraw/zinc/44/72/00/823447200.db2.gz DUSLFJRDHSSCGJ-SFHVURJKSA-N 2 0 392.547 4.417 20 0 GIADRP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)c3ccc(CC[NH+](C)C)cc3)c2C1 ZINC000573106088 823448445 /nfs/dbraw/zinc/44/84/45/823448445.db2.gz QKMJRWGAYOHCNL-UHFFFAOYSA-N 2 0 379.548 4.405 20 0 GIADRP C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000026368983 820090765 /nfs/dbraw/zinc/09/07/65/820090765.db2.gz MIJQWICDYADBFQ-ZWKOTPCHSA-N 2 0 399.966 4.160 20 0 GIADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)nc3ccccc23)[C@H](C)C1 ZINC000189993883 823523024 /nfs/dbraw/zinc/52/30/24/823523024.db2.gz KSYOAXDRFILCCL-VQIMIIECSA-N 2 0 375.944 4.115 20 0 GIADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(OC(F)(F)F)cc1 ZINC000180641714 821379288 /nfs/dbraw/zinc/37/92/88/821379288.db2.gz LIBMNVBYBBJWOO-KXBFYZLASA-N 2 0 394.437 4.003 20 0 GIADRP CC[NH+](CC)CCCC1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000180753628 821435542 /nfs/dbraw/zinc/43/55/42/821435542.db2.gz YQORBMKLVAMCIF-UHFFFAOYSA-N 2 0 385.596 4.257 20 0 GIADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@@H]2CCCCc3ccccc32)cc1 ZINC000180974430 821566653 /nfs/dbraw/zinc/56/66/53/821566653.db2.gz XHCCJRJBDBNZDG-XMMPIXPASA-N 2 0 391.559 4.070 20 0 GIADRP C[C@@H]([NH2+]CCc1nc(-c2ccccn2)cs1)c1ccc(OCC[NH+](C)C)cc1 ZINC000181008744 821590310 /nfs/dbraw/zinc/59/03/10/821590310.db2.gz BRSCILNXSUFRMA-QGZVFWFLSA-N 2 0 396.560 4.039 20 0 GIADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCc3nc(-c4ccccn4)cs3)CC2)C1 ZINC000181012301 821592994 /nfs/dbraw/zinc/59/29/94/821592994.db2.gz HBPUOORNXZGPFD-HKUYNNGSSA-N 2 0 384.593 4.380 20 0 GIADRP CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000181456448 821834329 /nfs/dbraw/zinc/83/43/29/821834329.db2.gz HZYVEGVBQNISCX-GOSISDBHSA-N 2 0 392.547 4.301 20 0 GIADRP c1ccc(C[NH+]2CCC(OCCC[NH2+]Cc3cccc4cnccc43)CC2)cc1 ZINC000181535428 821871240 /nfs/dbraw/zinc/87/12/40/821871240.db2.gz RMAZBDJAUCEBDV-UHFFFAOYSA-N 2 0 389.543 4.396 20 0 GIADRP CC[C@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1cc(F)cc(Br)c1 ZINC000181660428 821928322 /nfs/dbraw/zinc/92/83/22/821928322.db2.gz DLNLHFQEFCCQSA-SFHVURJKSA-N 2 0 387.337 4.130 20 0 GIADRP COc1ccc([C@@H](C)[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)cc1NC(C)=O ZINC000181664343 821931484 /nfs/dbraw/zinc/93/14/84/821931484.db2.gz XQUMLVPAEIPNIP-MDMXATFFSA-N 2 0 387.568 4.347 20 0 GIADRP CC(C)[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(F)c(F)c1 ZINC000182229065 822157098 /nfs/dbraw/zinc/15/70/98/822157098.db2.gz GDZLXBBGWISREA-NFBKMPQASA-N 2 0 388.502 4.408 20 0 GIADRP CC(C)[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(F)c(F)c1 ZINC000182229048 822157145 /nfs/dbraw/zinc/15/71/45/822157145.db2.gz GDZLXBBGWISREA-OFNKIYASSA-N 2 0 388.502 4.408 20 0 GIADRP COc1ccc([C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C(C)C)cc1 ZINC000182227751 822157207 /nfs/dbraw/zinc/15/72/07/822157207.db2.gz KEDOQXCHVYLVAJ-ISKFKSNPSA-N 2 0 382.548 4.139 20 0 GIADRP COc1cccc2cc([C@@H](C)[NH2+]Cc3ccccc3C[N@@H+]3CCC[C@@H]3CO)oc21 ZINC000182237420 822161155 /nfs/dbraw/zinc/16/11/55/822161155.db2.gz BCIPPXRWIHTGCP-DYESRHJHSA-N 2 0 394.515 4.249 20 0 GIADRP CC(C)Oc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000182247423 822166697 /nfs/dbraw/zinc/16/66/97/822166697.db2.gz ZVVZLCXGSPPWAP-WMZHIEFXSA-N 2 0 382.548 4.281 20 0 GIADRP CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(OC(F)F)cc1 ZINC000182261514 822175206 /nfs/dbraw/zinc/17/52/06/822175206.db2.gz YOENWLRUJWHLFX-PZJWPPBQSA-N 2 0 390.474 4.096 20 0 GIADRP CCc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000182261645 822175365 /nfs/dbraw/zinc/17/53/65/822175365.db2.gz RFWPJVMEPXXPDO-XLIONFOSSA-N 2 0 378.516 4.413 20 0 GIADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccccc1OC(F)(F)F ZINC000182263142 822175825 /nfs/dbraw/zinc/17/58/25/822175825.db2.gz RFWPCDSHGQPNBE-YJBOKZPZSA-N 2 0 394.437 4.003 20 0 GIADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]Cc2ccnc(N3CCCC3)c2)ccc1OC ZINC000182314300 822199569 /nfs/dbraw/zinc/19/95/69/822199569.db2.gz QRDKDLKIWVIYDV-IBGZPJMESA-N 2 0 396.579 4.383 20 0 GIADRP COc1ccc([C@H](C)[NH2+]Cc2cccc(NC(C)=O)c2)cc1C[NH+]1CCCCC1 ZINC000182425619 822239356 /nfs/dbraw/zinc/23/93/56/822239356.db2.gz OBGQJKOIPTZFRX-SFHVURJKSA-N 2 0 395.547 4.490 20 0 GIADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3ccc4ccccc4n3)cc2)CC1 ZINC000178132917 822328604 /nfs/dbraw/zinc/32/86/04/822328604.db2.gz VZIIKMKZHCQFOY-FQEVSTJZSA-N 2 0 388.559 4.223 20 0 GIADRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000178239896 822357594 /nfs/dbraw/zinc/35/75/94/822357594.db2.gz PSCQOKNVEAPHRC-FOIQADDNSA-N 2 0 391.437 4.099 20 0 GIADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H]([S@@](=O)CC)C2)ccc1OC ZINC000183083539 822422674 /nfs/dbraw/zinc/42/26/74/822422674.db2.gz PERMFZURHYWHON-HVGYWUMUSA-N 2 0 394.625 4.267 20 0 GIADRP Cn1ccnc1[C@@H]([NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1)C1CC1 ZINC000183274911 822452148 /nfs/dbraw/zinc/45/21/48/822452148.db2.gz WOHXTVHYMWCZQN-QHCPKHFHSA-N 2 0 380.580 4.196 20 0 GIADRP Cc1cc([C@H](C)[NH2+][C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(C)s1 ZINC000179371582 822472638 /nfs/dbraw/zinc/47/26/38/822472638.db2.gz ZYHVPHFRPLYOPO-ZWKOTPCHSA-N 2 0 399.604 4.185 20 0 GIADRP COc1cc([C@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)ccc1OC(F)F ZINC000179468775 822487012 /nfs/dbraw/zinc/48/70/12/822487012.db2.gz NEBVMFUSIOWHSI-HNNXBMFYSA-N 2 0 391.462 4.259 20 0 GIADRP COc1cc(OC)c([C@@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC000179469947 822487272 /nfs/dbraw/zinc/48/72/72/822487272.db2.gz BILFWSLQEWATIE-OAHLLOKOSA-N 2 0 389.927 4.319 20 0 GIADRP CC1CC[NH+](CCc2cccc(NC(=O)NC(C)(C)CCC[NH+](C)C)c2)CC1 ZINC000455054101 822581296 /nfs/dbraw/zinc/58/12/96/822581296.db2.gz IAEFMIDXZANRSK-UHFFFAOYSA-N 2 0 388.600 4.203 20 0 GIADRP CCN1CC[NH+](CCCC[NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000180110455 822617511 /nfs/dbraw/zinc/61/75/11/822617511.db2.gz YEDOAJDEKTWDAB-QHCPKHFHSA-N 2 0 385.983 4.437 20 0 GIADRP C[NH+](C)Cc1cc(C[NH2+][C@H]2CCc3c2cccc3Br)ccc1F ZINC000180113329 822617954 /nfs/dbraw/zinc/61/79/54/822617954.db2.gz PKTHWQWDJJQMTJ-IBGZPJMESA-N 2 0 377.301 4.427 20 0 GIADRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(NC(N)=O)cc1 ZINC000180139650 822624512 /nfs/dbraw/zinc/62/45/12/822624512.db2.gz CMWVTLRGSQLJNK-OOGWUDDOSA-N 2 0 378.520 4.023 20 0 GIADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)c3cccnc23)[C@H](C)C1 ZINC000180194735 822636823 /nfs/dbraw/zinc/63/68/23/822636823.db2.gz JQTPETZACMYOSH-RDTXWAMCSA-N 2 0 376.342 4.159 20 0 GIADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000180313515 822661880 /nfs/dbraw/zinc/66/18/80/822661880.db2.gz NNIHHLWSYKCHRW-UHFFFAOYSA-N 2 0 391.515 4.385 20 0 GIADRP C[C@@H](C[NH2+][C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1)CN1CC[NH+](C)CC1 ZINC000180438291 822682131 /nfs/dbraw/zinc/68/21/31/822682131.db2.gz KRZYBTZPJKUZCT-HTAPYJJXSA-N 2 0 389.946 4.042 20 0 GIADRP C[C@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000455858220 822738276 /nfs/dbraw/zinc/73/82/76/822738276.db2.gz PBYICVMYBATVOW-SGXKBVARSA-N 2 0 384.568 4.010 20 0 GIADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)ccc21 ZINC000455880820 822741724 /nfs/dbraw/zinc/74/17/24/822741724.db2.gz SGNMPPKEBPRIMF-NHCUHLMSSA-N 2 0 396.535 4.177 20 0 GIADRP C[C@H](CC[NH2+][C@H](C)[C@@H]1COc2ccccc21)[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000185582371 822799073 /nfs/dbraw/zinc/79/90/73/822799073.db2.gz RQWQEZPNMCEWKI-XMHKDOOOSA-N 2 0 380.532 4.074 20 0 GIADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2ccccc2Cl)s1 ZINC000185879716 822829700 /nfs/dbraw/zinc/82/97/00/822829700.db2.gz DWSSOBAPRGLANY-INIZCTEOSA-N 2 0 377.985 4.184 20 0 GIADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000185890588 822830390 /nfs/dbraw/zinc/83/03/90/822830390.db2.gz DUWIPSBGYDPKLF-UHFFFAOYSA-N 2 0 398.576 4.062 20 0 GIADRP CSC1(C[NH2+]Cc2cc3cc(Br)ccc3o2)CC[NH+](C)CC1 ZINC000569120751 822881233 /nfs/dbraw/zinc/88/12/33/822881233.db2.gz PIDHPYRZUSVDFH-UHFFFAOYSA-N 2 0 383.355 4.112 20 0 GIADRP COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000569364221 822911595 /nfs/dbraw/zinc/91/15/95/822911595.db2.gz GOBHTIYDDUGVLR-CQIJRDABSA-N 2 0 386.580 4.040 20 0 GIADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000186598966 822921177 /nfs/dbraw/zinc/92/11/77/822921177.db2.gz MHILFZPGEOVCCN-MOPGFXCFSA-N 2 0 385.527 4.295 20 0 GIADRP COc1ccc([C@H](Cc2ccccc2)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000570369534 823030218 /nfs/dbraw/zinc/03/02/18/823030218.db2.gz RNKKHVNKUOKKNY-BWKNWUBXSA-N 2 0 394.559 4.070 20 0 GIADRP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000570470400 823042156 /nfs/dbraw/zinc/04/21/56/823042156.db2.gz HYRDYNJUXKRNHP-KXBFYZLASA-N 2 0 386.458 4.127 20 0 GIADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)[C@H](C)C1 ZINC000411382765 823568227 /nfs/dbraw/zinc/56/82/27/823568227.db2.gz FSJITHKBVMZYSA-RFWXGWTQSA-N 2 0 399.604 4.006 20 0 GIADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000061069987 823576685 /nfs/dbraw/zinc/57/66/85/823576685.db2.gz SXRZBQTZEKFWRE-UHFFFAOYSA-N 2 0 392.374 4.421 20 0 GIADRP COC(=O)COc1ccc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000411536471 823586016 /nfs/dbraw/zinc/58/60/16/823586016.db2.gz BNQYRUXENSNDRW-LJQANCHMSA-N 2 0 396.531 4.075 20 0 GIADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCC(=O)Nc1ccccc1Cl ZINC000411537543 823586329 /nfs/dbraw/zinc/58/63/29/823586329.db2.gz VTWMKXBHOKXFJX-QZTJIDSGSA-N 2 0 399.966 4.415 20 0 GIADRP CCCn1ccnc1CCC[N@H+](C)CCc1nc(-c2cccc(Cl)c2)no1 ZINC000411632495 823592506 /nfs/dbraw/zinc/59/25/06/823592506.db2.gz QAZRIZSPKVQEHI-UHFFFAOYSA-N 2 0 387.915 4.104 20 0 GIADRP O=C(CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1)N[C@@H]1CCCc2ccccc21 ZINC000061735402 823610243 /nfs/dbraw/zinc/61/02/43/823610243.db2.gz KPFADTBVXYZCLW-XMMPIXPASA-N 2 0 397.607 4.158 20 0 GIADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000124736236 823622158 /nfs/dbraw/zinc/62/21/58/823622158.db2.gz TVMCJONZJLVKQL-KRWDZBQOSA-N 2 0 392.657 4.350 20 0 GIADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412116327 823627660 /nfs/dbraw/zinc/62/76/60/823627660.db2.gz KHSYJXWFDXJKCF-GMAHTHKFSA-N 2 0 397.607 4.399 20 0 GIADRP COc1cc(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)c2ccccc2n1 ZINC000124860861 823631884 /nfs/dbraw/zinc/63/18/84/823631884.db2.gz RXBHTGZCZZGOSV-KRWDZBQOSA-N 2 0 379.504 4.035 20 0 GIADRP C[C@@H](NC(=O)c1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000412254849 823640277 /nfs/dbraw/zinc/64/02/77/823640277.db2.gz YSMLVUJTCLVOEU-KNQAVFIVSA-N 2 0 383.580 4.055 20 0 GIADRP CCCOc1cc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)ccc1OC ZINC000063551792 823679110 /nfs/dbraw/zinc/67/91/10/823679110.db2.gz LNLOLMOBNLIYLA-UHFFFAOYSA-N 2 0 382.548 4.486 20 0 GIADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1cccc(N2CCOC2=O)c1 ZINC000125480725 823679639 /nfs/dbraw/zinc/67/96/39/823679639.db2.gz IPEIFROQDXYTFA-QGZVFWFLSA-N 2 0 399.560 4.268 20 0 GIADRP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000125490810 823680420 /nfs/dbraw/zinc/68/04/20/823680420.db2.gz LAUYFKJULCCWQO-LMKMVOKYSA-N 2 0 376.591 4.048 20 0 GIADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000063917599 823711380 /nfs/dbraw/zinc/71/13/80/823711380.db2.gz KWYYZLQMBWAGRU-SFHVURJKSA-N 2 0 380.561 4.422 20 0 GIADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000191609657 823711709 /nfs/dbraw/zinc/71/17/09/823711709.db2.gz CQKQIQLASUWXIQ-HXUWFJFHSA-N 2 0 383.502 4.162 20 0 GIADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)c2ccc(OC)c(NC(C)=O)c2)cc1 ZINC000163571527 823723806 /nfs/dbraw/zinc/72/38/06/823723806.db2.gz VJZOHZBVXXXRCA-KRWDZBQOSA-N 2 0 383.536 4.346 20 0 GIADRP C[NH+](C)CCCOC1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC1 ZINC000125835605 823724221 /nfs/dbraw/zinc/72/42/21/823724221.db2.gz XAQFSUTXJQFJCA-UHFFFAOYSA-N 2 0 381.442 4.191 20 0 GIADRP Cc1cc(C)cc([C@H](C)[NH2+]CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000574422951 823725884 /nfs/dbraw/zinc/72/58/84/823725884.db2.gz TZLCUUDDGYIRTG-NRFANRHFSA-N 2 0 393.575 4.043 20 0 GIADRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1cccc(C[NH+]2CCCC2)c1 ZINC000064027844 823736650 /nfs/dbraw/zinc/73/66/50/823736650.db2.gz JMBMOVBBGHTTTJ-UHFFFAOYSA-N 2 0 377.532 4.173 20 0 GIADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000125893015 823738579 /nfs/dbraw/zinc/73/85/79/823738579.db2.gz USRITFRAJQVEDU-WMLDXEAASA-N 2 0 387.490 4.379 20 0 GIADRP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)s1 ZINC000163933384 823762221 /nfs/dbraw/zinc/76/22/21/823762221.db2.gz ACKJHLFTKSKKQV-GOSISDBHSA-N 2 0 388.577 4.397 20 0 GIADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)C1 ZINC000125997343 823763085 /nfs/dbraw/zinc/76/30/85/823763085.db2.gz OMZOJSBXPMYWFN-QGZVFWFLSA-N 2 0 381.967 4.154 20 0 GIADRP COc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)cc1NC(C)=O ZINC000163941167 823763220 /nfs/dbraw/zinc/76/32/20/823763220.db2.gz MZKHFHKBYLAWSG-SFHVURJKSA-N 2 0 395.547 4.490 20 0 GIADRP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)cc1NC(C)=O ZINC000164023059 823771168 /nfs/dbraw/zinc/77/11/68/823771168.db2.gz URKKCHHAKJUFHO-SFHVURJKSA-N 2 0 395.547 4.490 20 0 GIADRP COc1cc([C@@H](C)[NH2+][C@H](C)C2CC[NH+](C)CC2)ccc1OCc1ccncc1 ZINC000164070506 823775038 /nfs/dbraw/zinc/77/50/38/823775038.db2.gz OVVVJONYYNDHGD-QZTJIDSGSA-N 2 0 383.536 4.050 20 0 GIADRP C/C=C\COc1ccc(CC[C@@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)cc1 ZINC000574646281 823789894 /nfs/dbraw/zinc/78/98/94/823789894.db2.gz GVPITOPHHQZMML-SFFCAUCYSA-N 2 0 376.610 4.380 20 0 GIADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000164493092 823804932 /nfs/dbraw/zinc/80/49/32/823804932.db2.gz WEKCWUOBQDKUOT-UHFFFAOYSA-N 2 0 395.469 4.028 20 0 GIADRP C[C@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000165361327 823845561 /nfs/dbraw/zinc/84/55/61/823845561.db2.gz HSVAMSGXUMXWAW-IBGZPJMESA-N 2 0 399.554 4.081 20 0 GIADRP C[C@H](C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413845586 823850256 /nfs/dbraw/zinc/85/02/56/823850256.db2.gz PCQAKEFEVXEZMD-OWCLPIDISA-N 2 0 393.959 4.013 20 0 GIADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Nc2cccc3c2CC[NH2+]C3)cc1 ZINC000575023574 823891218 /nfs/dbraw/zinc/89/12/18/823891218.db2.gz QCVUTKTWMUIGKE-SFHVURJKSA-N 2 0 392.547 4.028 20 0 GIADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414059448 823897901 /nfs/dbraw/zinc/89/79/01/823897901.db2.gz IPRVNMHVOAKTAF-RBBKRZOGSA-N 2 0 378.004 4.374 20 0 GIADRP COc1ccc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c(C)c1 ZINC000414115044 823912678 /nfs/dbraw/zinc/91/26/78/823912678.db2.gz MKYUVUOJXBMABS-ZWKOTPCHSA-N 2 0 385.527 4.306 20 0 GIADRP CCOc1ccccc1[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000126750404 823941437 /nfs/dbraw/zinc/94/14/37/823941437.db2.gz QNZRBTQPZAJYJB-ZWKOTPCHSA-N 2 0 385.527 4.388 20 0 GIADRP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)C1CCC(C(F)(F)F)CC1 ZINC000414297028 823953499 /nfs/dbraw/zinc/95/34/99/823953499.db2.gz GDUKNKBCTRGUHV-KKXNLOMOSA-N 2 0 398.513 4.360 20 0 GIADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000414297601 823953766 /nfs/dbraw/zinc/95/37/66/823953766.db2.gz GIRRUXUEOJKKAL-GOTSBHOMSA-N 2 0 393.575 4.033 20 0 GIADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCC(=O)N[C@H]2c2ccccc2)CC1 ZINC000414319271 823957509 /nfs/dbraw/zinc/95/75/09/823957509.db2.gz NQCFPPYZTFMLST-IRLDBZIGSA-N 2 0 385.596 4.275 20 0 GIADRP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccc(Cl)cc1 ZINC000414323323 823958466 /nfs/dbraw/zinc/95/84/66/823958466.db2.gz IINIFEMLKGXNNQ-QFIPXVFZSA-N 2 0 399.966 4.278 20 0 GIADRP CC(C)CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccoc1 ZINC000414348212 823962376 /nfs/dbraw/zinc/96/23/76/823962376.db2.gz XKWGMSMIWLAQHD-QHCPKHFHSA-N 2 0 397.563 4.244 20 0 GIADRP CN(c1ccccc1C[NH2+]Cc1cnccc1C(C)(C)C)C1CC[NH+](C)CC1 ZINC000414496162 823995172 /nfs/dbraw/zinc/99/51/72/823995172.db2.gz IEBZZFJBCKTQIP-UHFFFAOYSA-N 2 0 380.580 4.199 20 0 GIADRP CCC[C@@H](C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccccc1 ZINC000414557754 824011680 /nfs/dbraw/zinc/01/16/80/824011680.db2.gz QPTJFGAUGPOHGT-DEOSSOPVSA-N 2 0 393.575 4.057 20 0 GIADRP C[N@H+](Cc1ccccc1NC(=O)NC[C@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000414716683 824026077 /nfs/dbraw/zinc/02/60/77/824026077.db2.gz SNYFQXMAISHJLX-NRFANRHFSA-N 2 0 380.536 4.273 20 0 GIADRP CC(C)c1ccc([C@H](N)C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000414850392 824041622 /nfs/dbraw/zinc/04/16/22/824041622.db2.gz SBGFAZOLCJZHKX-XMMPIXPASA-N 2 0 394.607 4.130 20 0 GIADRP C[C@@H]([NH2+]Cc1cnc(-c2ccc(Br)cc2)s1)[C@@H]1CCC[NH2+]C1 ZINC000414856220 824043039 /nfs/dbraw/zinc/04/30/39/824043039.db2.gz OCORLVSHNHTQDX-TZMCWYRMSA-N 2 0 380.355 4.050 20 0 GIADRP [NH3+]CCCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000414898220 824047093 /nfs/dbraw/zinc/04/70/93/824047093.db2.gz DJFOHNCBPWKLIB-UHFFFAOYSA-N 2 0 399.336 4.130 20 0 GIADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3[NH2+]Cc4ccccc4[C@@H]3C2)nc1 ZINC001164427570 718946688 /nfs/dbraw/zinc/94/66/88/718946688.db2.gz FQFSTEJCZVVWOT-RJGXRXQPSA-N 2 0 376.548 4.094 20 0 GIADRP CC(C)Oc1cc[nH+]c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165026158 721815548 /nfs/dbraw/zinc/81/55/48/721815548.db2.gz PIXMMAHZJFDBKN-BWAGFHJFSA-N 2 0 380.536 4.001 20 0 GIADRP Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2cc(N4CCCC4)cc[nH+]2)C3)c1 ZINC001164995622 722204251 /nfs/dbraw/zinc/20/42/51/722204251.db2.gz OSASCPOJGZLUHW-HSZRJFAPSA-N 2 0 380.511 4.066 20 0 GIADRP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CCOc3c(Br)cccc32)ccc1F ZINC000120822488 823071353 /nfs/dbraw/zinc/07/13/53/823071353.db2.gz HBZGUZBVJKOENW-GOSISDBHSA-N 2 0 393.300 4.263 20 0 GIADRP FC(F)(F)CCN1CCC([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000570821489 823091517 /nfs/dbraw/zinc/09/15/17/823091517.db2.gz GEABLYCYJYXCHR-UHFFFAOYSA-N 2 0 383.502 4.179 20 0 GIADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)CCCS2 ZINC000187789249 823133588 /nfs/dbraw/zinc/13/35/88/823133588.db2.gz BSIFBEBWKPLFLY-NRFANRHFSA-N 2 0 386.561 4.352 20 0 GIADRP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3cccc(OC(F)F)c3)cc2)CC1 ZINC000571151172 823141361 /nfs/dbraw/zinc/14/13/61/823141361.db2.gz QNPQYATYHAUQSL-UHFFFAOYSA-N 2 0 376.447 4.051 20 0 GIADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)CCCS2 ZINC000187896852 823154154 /nfs/dbraw/zinc/15/41/54/823154154.db2.gz BKYQEKMZWLYGTJ-FQEVSTJZSA-N 2 0 386.561 4.352 20 0 GIADRP C[N@H+](Cc1ccccc1NC(=O)NCC[C@H]1CCC[NH+](C)C1)C1CCCCC1 ZINC000459271223 823154442 /nfs/dbraw/zinc/15/44/42/823154442.db2.gz VXERXRYPGQRKSN-LJQANCHMSA-N 2 0 386.584 4.305 20 0 GIADRP C[C@@H]([NH2+][C@@H]1CCc2c1cc(F)cc2F)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000121288299 823155751 /nfs/dbraw/zinc/15/57/51/823155751.db2.gz PDEMICNHUIFBMJ-SPLOXXLWSA-N 2 0 389.465 4.194 20 0 GIADRP C[C@H]([NH2+][C@@H]1CCc2c1cc(F)cc2F)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000121288141 823155828 /nfs/dbraw/zinc/15/58/28/823155828.db2.gz PDEMICNHUIFBMJ-LHSJRXKWSA-N 2 0 389.465 4.194 20 0 GIADRP Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000459316671 823160353 /nfs/dbraw/zinc/16/03/53/823160353.db2.gz AQBFSYKOPUVBTK-MRXNPFEDSA-N 2 0 381.549 4.219 20 0 GIADRP Cc1nc(-c2ccc(CC[NH2+]C3CCN(c4cc[nH+]cc4)CC3)s2)cs1 ZINC000459366616 823174116 /nfs/dbraw/zinc/17/41/16/823174116.db2.gz BLKLNHKMYXPNKP-UHFFFAOYSA-N 2 0 384.574 4.376 20 0 GIADRP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000459371519 823175050 /nfs/dbraw/zinc/17/50/50/823175050.db2.gz IGJOXDAILIAYDQ-FQEVSTJZSA-N 3 0 378.564 4.072 20 0 GIADRP COc1cccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1OC1CCCC1 ZINC000459421794 823188918 /nfs/dbraw/zinc/18/89/18/823188918.db2.gz DZSMTVBLUBPWKV-UHFFFAOYSA-N 2 0 381.520 4.170 20 0 GIADRP Clc1ccc(N2CC[C@H]([NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)cc1Cl ZINC000459455130 823195412 /nfs/dbraw/zinc/19/54/12/823195412.db2.gz GIQOJYVKUHREMT-INIZCTEOSA-N 2 0 391.346 4.226 20 0 GIADRP C[N@@H+]1CCC[C@@H](CNC2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000459442388 823192739 /nfs/dbraw/zinc/19/27/39/823192739.db2.gz JKMAPBLJWXXAHZ-LAUBAEHRSA-N 2 0 395.513 4.305 20 0 GIADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)c1 ZINC000459464512 823197575 /nfs/dbraw/zinc/19/75/75/823197575.db2.gz MLAXGGVYJRGLOP-UHFFFAOYSA-N 2 0 389.547 4.412 20 0 GIADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cc2ccccc2s1 ZINC000188207670 823203158 /nfs/dbraw/zinc/20/31/58/823203158.db2.gz XQVGVVBNEOXJNS-INIZCTEOSA-N 2 0 381.545 4.044 20 0 GIADRP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459508495 823207282 /nfs/dbraw/zinc/20/72/82/823207282.db2.gz TYBYDNXXESSPNC-UHFFFAOYSA-N 2 0 389.547 4.151 20 0 GIADRP CCc1nnc(C[N@@H+]2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)n1C ZINC000459539937 823215570 /nfs/dbraw/zinc/21/55/70/823215570.db2.gz XCXCUNPFIXWDRY-QFIPXVFZSA-N 2 0 395.595 4.034 20 0 GIADRP COCc1nc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c(-c2ccccc2)s1 ZINC000459541104 823216029 /nfs/dbraw/zinc/21/60/29/823216029.db2.gz YPNDWKVPYLCRDD-UHFFFAOYSA-N 2 0 394.544 4.110 20 0 GIADRP Clc1cccc(-c2nnc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)o2)c1 ZINC000121615209 823216449 /nfs/dbraw/zinc/21/64/49/823216449.db2.gz UXJQFGUDOKSPFB-UHFFFAOYSA-N 2 0 388.943 4.478 20 0 GIADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)c(Br)c1 ZINC000459596371 823227221 /nfs/dbraw/zinc/22/72/21/823227221.db2.gz UJPNOVXJAIASQS-ZDUSSCGKSA-N 2 0 378.289 4.303 20 0 GIADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]Cc2ccc3c[nH+]cn3c2)c1 ZINC000459662206 823244304 /nfs/dbraw/zinc/24/43/04/823244304.db2.gz SSZZMUYQELNKKE-UHFFFAOYSA-N 2 0 389.503 4.251 20 0 GIADRP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000121779987 823249247 /nfs/dbraw/zinc/24/92/47/823249247.db2.gz MFSGCQYPWABBDS-MSOLQXFVSA-N 2 0 395.547 4.387 20 0 GIADRP O=C(Nc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1)c1ccc(F)cc1 ZINC000572272302 823311046 /nfs/dbraw/zinc/31/10/46/823311046.db2.gz CLVUFHURZJHCGH-FDFHNCONSA-N 2 0 381.495 4.088 20 0 GIADRP C[NH+](C)Cc1ccnc(NC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)c1 ZINC000176946787 823331414 /nfs/dbraw/zinc/33/14/14/823331414.db2.gz VQTSIRLUDPACQD-UHFFFAOYSA-N 2 0 388.515 4.028 20 0 GIADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccc(Cl)cc1 ZINC000025702383 820016353 /nfs/dbraw/zinc/01/63/53/820016353.db2.gz ZTJSATMKPBBKNC-KRWDZBQOSA-N 2 0 385.939 4.443 20 0 GIADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc(N2CCCC2=O)cc1 ZINC000123063162 823455961 /nfs/dbraw/zinc/45/59/61/823455961.db2.gz LDPYJJHOUDBXQS-LJQANCHMSA-N 2 0 377.532 4.260 20 0 GIADRP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000573170683 823459536 /nfs/dbraw/zinc/45/95/36/823459536.db2.gz HRKTWNCUHKIDPL-IRLDBZIGSA-N 2 0 389.547 4.220 20 0 GIADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000026984877 820173501 /nfs/dbraw/zinc/17/35/01/820173501.db2.gz IGLOIXWKKKUKIH-SFHVURJKSA-N 2 0 390.531 4.193 20 0 GIADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccc(F)c(F)c1 ZINC000028899408 820369827 /nfs/dbraw/zinc/36/98/27/820369827.db2.gz DLGWPWQASACGRQ-MRXNPFEDSA-N 2 0 387.474 4.068 20 0 GIADRP CC(C)[C@@H](C[NH2+]Cc1c2ccccc2cc2ccccc21)N1CC[NH+](C)CC1 ZINC000030664956 820661669 /nfs/dbraw/zinc/66/16/69/820661669.db2.gz LQNRLNBGTJWJSX-RUZDIDTESA-N 2 0 375.560 4.355 20 0 GIADRP c1csc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000030907153 820706829 /nfs/dbraw/zinc/70/68/29/820706829.db2.gz ARWSCLQDWVQIKK-IBGZPJMESA-N 2 0 392.572 4.234 20 0 GIADRP Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)o1 ZINC000059853230 823500703 /nfs/dbraw/zinc/50/07/03/823500703.db2.gz RIQDIIZCFHXXQS-UHFFFAOYSA-N 2 0 378.520 4.500 20 0 GIADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cc(Cl)ccc1Cl ZINC000180643978 821380058 /nfs/dbraw/zinc/38/00/58/821380058.db2.gz YICVAMGCYMEOKG-KDOFPFPSSA-N 2 0 379.331 4.411 20 0 GIADRP C[C@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000180690595 821396984 /nfs/dbraw/zinc/39/69/84/821396984.db2.gz AUVDMCACDXFINC-MGPUTAFESA-N 2 0 396.453 4.030 20 0 GIADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC000180904164 821527244 /nfs/dbraw/zinc/52/72/44/821527244.db2.gz ODXFNCLIQWTHAI-MRXNPFEDSA-N 2 0 395.469 4.081 20 0 GIADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC000180933168 821545188 /nfs/dbraw/zinc/54/51/88/821545188.db2.gz IOODDABTZWITBF-UHFFFAOYSA-N 2 0 395.469 4.083 20 0 GIADRP C[NH+](C)Cc1cccc(NC(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000044277379 821558350 /nfs/dbraw/zinc/55/83/50/821558350.db2.gz WXLNQCMNFBGNHF-UHFFFAOYSA-N 2 0 380.536 4.056 20 0 GIADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cc2ccccc2o1 ZINC000180975885 821567923 /nfs/dbraw/zinc/56/79/23/821567923.db2.gz AEIBYPAOFYFJLT-GOSISDBHSA-N 2 0 391.515 4.109 20 0 GIADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H](c2cccs2)C2CCCC2)cc1 ZINC000180995519 821582283 /nfs/dbraw/zinc/58/22/83/821582283.db2.gz YKXPQMYURUVOPU-OAQYLSRUSA-N 2 0 385.577 4.061 20 0 GIADRP CC(C)Sc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000180996549 821582318 /nfs/dbraw/zinc/58/23/18/821582318.db2.gz RBQNORJCNRBTFJ-SFHVURJKSA-N 2 0 399.604 4.329 20 0 GIADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cc(Cl)ccc1Cl ZINC000180999472 821585051 /nfs/dbraw/zinc/58/50/51/821585051.db2.gz MUSCQWYNWHXQHA-AWEZNQCLSA-N 2 0 394.346 4.136 20 0 GIADRP C[C@@H]([NH2+]CCc1nc(-c2ccccn2)cs1)c1cccc(OCC[NH+](C)C)c1 ZINC000181009009 821590382 /nfs/dbraw/zinc/59/03/82/821590382.db2.gz ZYLMWQTVHGWKMR-QGZVFWFLSA-N 2 0 396.560 4.039 20 0 GIADRP COc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)c(Br)c1 ZINC000181416252 821814167 /nfs/dbraw/zinc/81/41/67/821814167.db2.gz WTSWGKCIIQSAOH-CQSZACIVSA-N 2 0 377.326 4.370 20 0 GIADRP COc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)OCCO3)cc1C[NH+]1CCCCC1 ZINC000182216451 822152260 /nfs/dbraw/zinc/15/22/60/822152260.db2.gz ODVQFASSJKUNFD-GOSISDBHSA-N 2 0 396.531 4.303 20 0 GIADRP COc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(OC)c(C[NH+]3CCCCC3)c2)cc1 ZINC000182286808 822188139 /nfs/dbraw/zinc/18/81/39/822188139.db2.gz BUYWJVSMKBQIDM-WZONZLPQSA-N 2 0 398.547 4.074 20 0 GIADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]Cc2ccc(N3CCCC3)nc2)ccc1OC ZINC000182344687 822209311 /nfs/dbraw/zinc/20/93/11/822209311.db2.gz IGNXDYYEGOHCAX-IBGZPJMESA-N 2 0 396.579 4.383 20 0 GIADRP COc1cc(C)c([C@@H](C)[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1OC ZINC000178036866 822292959 /nfs/dbraw/zinc/29/29/59/822292959.db2.gz OXJQKMRSVAFTKZ-QZTJIDSGSA-N 2 0 386.536 4.364 20 0 GIADRP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)Cn2ccnc2C)cc1C[NH+]1CCCCC1 ZINC000182825854 822373742 /nfs/dbraw/zinc/37/37/42/822373742.db2.gz MSRBXANKMWHZLL-RTBURBONSA-N 2 0 384.568 4.173 20 0 GIADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)c2sc(C)nc2C)CC1 ZINC000178770543 822408553 /nfs/dbraw/zinc/40/85/53/822408553.db2.gz RQUXDZYHBPWTCT-LSDHHAIUSA-N 2 0 390.572 4.453 20 0 GIADRP C[C@@H]([NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183100621 822424408 /nfs/dbraw/zinc/42/44/08/822424408.db2.gz JEDABQCFPNBFPZ-UYAOXDASSA-N 2 0 393.616 4.266 20 0 GIADRP c1csc(-c2noc(CCC[NH+]3CCC(C[NH+]4CCCCCC4)CC3)n2)c1 ZINC000045944257 822426189 /nfs/dbraw/zinc/42/61/89/822426189.db2.gz BVABKADWQFFAMR-UHFFFAOYSA-N 2 0 388.581 4.319 20 0 GIADRP Fc1ccc(-c2noc(CCC[NH2+]C3CC[NH+](C4CCCCC4)CC3)n2)cc1 ZINC000183177577 822436229 /nfs/dbraw/zinc/43/62/29/822436229.db2.gz KRNLESXPAAOGPW-UHFFFAOYSA-N 2 0 386.515 4.195 20 0 GIADRP COc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1C[NH+]1CCCCC1 ZINC000183179842 822436596 /nfs/dbraw/zinc/43/65/96/822436596.db2.gz SWNOYDQLTWPDTM-QGZVFWFLSA-N 2 0 383.492 4.440 20 0 GIADRP C[C@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183197053 822439857 /nfs/dbraw/zinc/43/98/57/822439857.db2.gz DFJCVRUEMHKYSK-FKAKGIQBSA-N 2 0 379.589 4.065 20 0 GIADRP COc1ccc([C@H](C)[NH2+]CC2(SC)CCOCC2)cc1C[NH+]1CCCCC1 ZINC000183304356 822455945 /nfs/dbraw/zinc/45/59/45/822455945.db2.gz APZPLGCVGWVDFB-SFHVURJKSA-N 2 0 392.609 4.244 20 0 GIADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]Cc2cn(C)nc2C(F)(F)F)ccc1OC ZINC000183371173 822465134 /nfs/dbraw/zinc/46/51/34/822465134.db2.gz ZVFOQVAKSJGRNU-AWEZNQCLSA-N 2 0 398.473 4.140 20 0 GIADRP Cc1cc([C@@H](C)[NH2+][C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(C)s1 ZINC000179371568 822472611 /nfs/dbraw/zinc/47/26/11/822472611.db2.gz ZYHVPHFRPLYOPO-QZTJIDSGSA-N 2 0 399.604 4.185 20 0 GIADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nc(-c2ccc(F)cc2)no1 ZINC000179395416 822476617 /nfs/dbraw/zinc/47/66/17/822476617.db2.gz WDMKVGAUOIHYEV-UHFFFAOYSA-N 2 0 395.482 4.009 20 0 GIADRP CCOc1ccc([C@@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1OCC ZINC000179468802 822487267 /nfs/dbraw/zinc/48/72/67/822487267.db2.gz IWPROEUWRAHQIJ-GOSISDBHSA-N 2 0 383.536 4.446 20 0 GIADRP CC[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(Br)cc1 ZINC000179511130 822493687 /nfs/dbraw/zinc/49/36/87/822493687.db2.gz GRXWJUGLTPZBNB-GOSISDBHSA-N 2 0 392.341 4.025 20 0 GIADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000183993303 822559851 /nfs/dbraw/zinc/55/98/51/822559851.db2.gz FUMKEMTUVJQGNT-NJYVYQBISA-N 2 0 393.616 4.265 20 0 GIADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000047306996 822564061 /nfs/dbraw/zinc/56/40/61/822564061.db2.gz ZGVLLMLCWCWUCN-UHFFFAOYSA-N 2 0 393.575 4.055 20 0 GIADRP CCN(C(=O)c1cccc(C[NH+]2CCCC2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184175466 822590971 /nfs/dbraw/zinc/59/09/71/822590971.db2.gz VXQGGIAPNMXZCX-DEOSSOPVSA-N 2 0 391.559 4.019 20 0 GIADRP Cc1cc([C@@H]([NH2+]CCCN2CC[NH+](C)CC2)c2ccccc2Cl)ccc1F ZINC000180017961 822597456 /nfs/dbraw/zinc/59/74/56/822597456.db2.gz ULAGZJVWPXFACS-JOCHJYFZSA-N 2 0 389.946 4.104 20 0 GIADRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1nc2ccc(Cl)cc2n1C ZINC000180025027 822599378 /nfs/dbraw/zinc/59/93/78/822599378.db2.gz NMGQPADVASEGFH-HNNXBMFYSA-N 2 0 386.927 4.018 20 0 GIADRP C[C@@H](C[NH2+][C@@H](c1cccc(F)c1)c1cccc(Cl)c1)CN1CC[NH+](C)CC1 ZINC000180439798 822682381 /nfs/dbraw/zinc/68/23/81/822682381.db2.gz RVFKBJWTGOOXBU-HTAPYJJXSA-N 2 0 389.946 4.042 20 0 GIADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)ccc21 ZINC000455887881 822742746 /nfs/dbraw/zinc/74/27/46/822742746.db2.gz XGXGSKSGLOIRJZ-PMACEKPBSA-N 2 0 398.576 4.256 20 0 GIADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCC[C@H](C[NH+]4CCCCCC4)C3)ccc21 ZINC000455919643 822749481 /nfs/dbraw/zinc/74/94/81/822749481.db2.gz LJOIVLIFCJPEIQ-AUSIDOKSSA-N 2 0 398.595 4.355 20 0 GIADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC3CC[NH+](CC4CCCC4)CC3)ccc21 ZINC000455947049 822755937 /nfs/dbraw/zinc/75/59/37/822755937.db2.gz XGFATOWECBRZOB-QFIPXVFZSA-N 2 0 384.568 4.012 20 0 GIADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(Br)cc1Br ZINC000051694125 822773931 /nfs/dbraw/zinc/77/39/31/822773931.db2.gz OFPQWFYTEKPNIO-GCVQQVDUSA-N 2 0 376.136 4.132 20 0 GIADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)c1 ZINC000174404627 822785636 /nfs/dbraw/zinc/78/56/36/822785636.db2.gz IFUNXYOQVVEPQY-OAQYLSRUSA-N 2 0 388.939 4.249 20 0 GIADRP COc1ccc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)c(OC)c1 ZINC000174452149 822791810 /nfs/dbraw/zinc/79/18/10/822791810.db2.gz MKGSSAIYHBDJMV-UHFFFAOYSA-N 2 0 380.488 4.219 20 0 GIADRP C[C@@H]([NH2+]CCCC[NH2+][C@@H](C)[C@@H]1COc2ccccc21)[C@@H]1COc2ccccc21 ZINC000185582416 822799079 /nfs/dbraw/zinc/79/90/79/822799079.db2.gz AIBCROVLSZCDRK-UDKICSLYSA-N 2 0 380.532 4.075 20 0 GIADRP CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000174526629 822801204 /nfs/dbraw/zinc/80/12/04/822801204.db2.gz NAQNDFWNDSGIKZ-NRFANRHFSA-N 2 0 386.584 4.399 20 0 GIADRP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000186187253 822859238 /nfs/dbraw/zinc/85/92/38/822859238.db2.gz DSCRXELMDXEPFH-DEOSSOPVSA-N 2 0 378.560 4.427 20 0 GIADRP Brc1ccccc1-c1cnc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)o1 ZINC000568986563 822867567 /nfs/dbraw/zinc/86/75/67/822867567.db2.gz DFFUAVVMMQOYIW-QGZVFWFLSA-N 2 0 390.325 4.068 20 0 GIADRP COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000569364222 822911577 /nfs/dbraw/zinc/91/15/77/822911577.db2.gz GOBHTIYDDUGVLR-DHNNRRLOSA-N 2 0 386.580 4.040 20 0 GIADRP CCOc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)CCO2 ZINC000186693503 822938760 /nfs/dbraw/zinc/93/87/60/822938760.db2.gz KDCJQGDOFLJAEW-VGOFRKELSA-N 2 0 384.520 4.200 20 0 GIADRP CN1c2ccc(C[NH2+]Cc3cccc(C[NH+]4CCCCCC4)c3)cc2CCC1=O ZINC000187174181 823020732 /nfs/dbraw/zinc/02/07/32/823020732.db2.gz IIZNLRAFMTWJFW-UHFFFAOYSA-N 2 0 391.559 4.261 20 0 GIADRP C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1cncc(Br)c1 ZINC000570345023 823027422 /nfs/dbraw/zinc/02/74/22/823027422.db2.gz DAMKGVMFNANSCQ-OAHLLOKOSA-N 2 0 392.341 4.025 20 0 GIADRP O=C(C1CC[NH+](C2CC2)CC1)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000411096522 823545178 /nfs/dbraw/zinc/54/51/78/823545178.db2.gz AEMMKUJZKPUIJQ-UHFFFAOYSA-N 2 0 389.971 4.033 20 0 GIADRP O=C(c1ccc2c[nH+]cn2c1)N(CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000411102987 823546476 /nfs/dbraw/zinc/54/64/76/823546476.db2.gz PKQHSUHULDBCSI-UHFFFAOYSA-N 2 0 382.895 4.120 20 0 GIADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1ccc(-n2cncn2)cc1 ZINC000411438545 823574202 /nfs/dbraw/zinc/57/42/02/823574202.db2.gz NJVGTOMLYNIWIZ-IBGZPJMESA-N 2 0 375.520 4.104 20 0 GIADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2ccc(Br)o2)cc1 ZINC000190778008 823607557 /nfs/dbraw/zinc/60/75/57/823607557.db2.gz KSMJRLJDPNXOAZ-UHFFFAOYSA-N 2 0 381.314 4.053 20 0 GIADRP C[C@H]1C[NH+](Cc2ccc(C[NH2+]C3CCN(c4ccccc4)CC3)cc2)C[C@H](C)O1 ZINC000124621974 823611983 /nfs/dbraw/zinc/61/19/83/823611983.db2.gz WNBCIVPHVBOZCM-SFTDATJTSA-N 2 0 393.575 4.054 20 0 GIADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)C1 ZINC000062427100 823635183 /nfs/dbraw/zinc/63/51/83/823635183.db2.gz HBIZYPQZBGRZLG-SFHVURJKSA-N 2 0 380.561 4.421 20 0 GIADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000062427019 823635202 /nfs/dbraw/zinc/63/52/02/823635202.db2.gz JZMOTJGBYVBMMS-FQEVSTJZSA-N 2 0 394.588 4.480 20 0 GIADRP Cc1c([C@H](C)[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)cnn1C(C)C ZINC000191187960 823657646 /nfs/dbraw/zinc/65/76/46/823657646.db2.gz GPSYULKDOKHDDZ-NRFANRHFSA-N 2 0 397.611 4.021 20 0 GIADRP CCCOc1ccc(C[NH2+]CC2CC[NH+](Cc3ccc(OC)cc3)CC2)cc1 ZINC000063319675 823662155 /nfs/dbraw/zinc/66/21/55/823662155.db2.gz NRKVODCQVPQQJX-UHFFFAOYSA-N 2 0 382.548 4.486 20 0 GIADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1csc(Cl)c1 ZINC000191368667 823677468 /nfs/dbraw/zinc/67/74/68/823677468.db2.gz GKWBPJLGMHIRGU-OAHLLOKOSA-N 2 0 391.968 4.078 20 0 GIADRP O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000063640296 823685764 /nfs/dbraw/zinc/68/57/64/823685764.db2.gz RRJVWJIPNOGNCI-UHFFFAOYSA-N 2 0 383.580 4.201 20 0 GIADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)CCS2 ZINC000191509076 823693392 /nfs/dbraw/zinc/69/33/92/823693392.db2.gz LUWUAFDDMGJONB-OAQYLSRUSA-N 2 0 386.561 4.352 20 0 GIADRP CC[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc(Cl)s1 ZINC000163542844 823719467 /nfs/dbraw/zinc/71/94/67/823719467.db2.gz NDLPRKIKODFNOL-HNNXBMFYSA-N 2 0 386.005 4.069 20 0 GIADRP CC(C)CC[NH+]1CCC(C[NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)CC1 ZINC000163589537 823726184 /nfs/dbraw/zinc/72/61/84/823726184.db2.gz POHDEAWJQCCECQ-UHFFFAOYSA-N 2 0 386.628 4.069 20 0 GIADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)cc3cccnc32)[C@H](C)C1 ZINC000163653587 823732982 /nfs/dbraw/zinc/73/29/82/823732982.db2.gz WFHCFRJHQITFCQ-RDTXWAMCSA-N 2 0 376.342 4.159 20 0 GIADRP CCOc1ccc([C@H](C)[NH2+]Cc2cccc(CN3CCOCC3)c2)cc1OCC ZINC000163756306 823745567 /nfs/dbraw/zinc/74/55/67/823745567.db2.gz BKDZIVYVUDNZNM-IBGZPJMESA-N 2 0 398.547 4.167 20 0 GIADRP C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000574519324 823754180 /nfs/dbraw/zinc/75/41/80/823754180.db2.gz OGOXYZFIWGLPPJ-ICSRJNTNSA-N 2 0 393.531 4.127 20 0 GIADRP CCCOc1ccccc1Oc1ncccc1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000163924734 823761650 /nfs/dbraw/zinc/76/16/50/823761650.db2.gz RVEBXWRCRYVDQF-GOSISDBHSA-N 2 0 383.536 4.483 20 0 GIADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(N2CCOC2=O)c1 ZINC000163922442 823761659 /nfs/dbraw/zinc/76/16/59/823761659.db2.gz QHEVFLOMHLVIAO-IBGZPJMESA-N 2 0 393.531 4.480 20 0 GIADRP C[C@H](CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000574559130 823766067 /nfs/dbraw/zinc/76/60/67/823766067.db2.gz SMPJHAOYYOCPIY-RCZVLFRGSA-N 2 0 377.576 4.072 20 0 GIADRP CCCC[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000164452577 823803819 /nfs/dbraw/zinc/80/38/19/823803819.db2.gz QSDOVMRSLOGHKZ-OAHLLOKOSA-N 2 0 385.474 4.277 20 0 GIADRP Cc1c(F)cccc1NC(=O)CC[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000574711358 823806105 /nfs/dbraw/zinc/80/61/05/823806105.db2.gz RGHHRQLDUPEKEM-UHFFFAOYSA-N 2 0 383.511 4.238 20 0 GIADRP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000164513537 823806805 /nfs/dbraw/zinc/80/68/05/823806805.db2.gz UPVUIQHIHRQKML-FQEVSTJZSA-N 2 0 397.563 4.182 20 0 GIADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C2(c3ccccc3)CC[NH2+]CC2)cc1 ZINC000164567757 823808901 /nfs/dbraw/zinc/80/89/01/823808901.db2.gz SCQBVQJUJKHYHJ-HXUWFJFHSA-N 2 0 391.559 4.321 20 0 GIADRP C[NH+]1CCC(C[NH2+][C@@H](Cc2ccccn2)c2ccc(Br)cc2)CC1 ZINC000126255386 823822174 /nfs/dbraw/zinc/82/21/74/823822174.db2.gz WYBQUMTTYBKVFN-FQEVSTJZSA-N 2 0 388.353 4.059 20 0 GIADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc2c(c1)OCCCO2 ZINC000165307582 823843140 /nfs/dbraw/zinc/84/31/40/823843140.db2.gz RUHKPYIXYSRTEF-FPOVZHCZSA-N 2 0 380.532 4.063 20 0 GIADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000167901907 823898288 /nfs/dbraw/zinc/89/82/88/823898288.db2.gz FXVFFSKSURWXPG-SIFCLUCFSA-N 2 0 384.395 4.276 20 0 GIADRP COc1cc(F)c([C@@H](C)[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1OC ZINC000168558448 823903470 /nfs/dbraw/zinc/90/34/70/823903470.db2.gz FCJIUAVFGBNVRF-JKSUJKDBSA-N 2 0 390.499 4.195 20 0 GIADRP COCCC[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1ccc(Br)cc1 ZINC000414145830 823918255 /nfs/dbraw/zinc/91/82/55/823918255.db2.gz BHCATYIMFUCAPJ-IBGZPJMESA-N 2 0 388.309 4.354 20 0 GIADRP C[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000414176193 823923149 /nfs/dbraw/zinc/92/31/49/823923149.db2.gz HFEGIVJVMIFYMG-OXQOHEQNSA-N 2 0 383.467 4.272 20 0 GIADRP C[C@@H]([NH2+][C@@H](C)c1ccnc(Cl)c1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000126719095 823934551 /nfs/dbraw/zinc/93/45/51/823934551.db2.gz ZSWHRQJMAMCCBC-LSDHHAIUSA-N 2 0 376.907 4.038 20 0 GIADRP Cc1cc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)ccc1C(F)(F)F ZINC000414391845 823971526 /nfs/dbraw/zinc/97/15/26/823971526.db2.gz ALFVHYRQKRNXCQ-UHFFFAOYSA-N 2 0 383.502 4.004 20 0 GIADRP C[NH+]1CCC(Oc2ccc(C[NH2+]C3CC(c4cc(F)cc(F)c4)C3)cc2)CC1 ZINC000575589447 823978365 /nfs/dbraw/zinc/97/83/65/823978365.db2.gz SQWAHOKVRLURHQ-UHFFFAOYSA-N 2 0 386.486 4.474 20 0 GIADRP COC(=O)C1CCC([NH2+]Cc2ccccc2-c2ccc(C[NH+](C)C)cc2)CC1 ZINC000192438856 823993556 /nfs/dbraw/zinc/99/35/56/823993556.db2.gz OFXMVVFTNPSXGT-UHFFFAOYSA-N 2 0 380.532 4.237 20 0 GIADRP Clc1cc(Br)cc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000414501622 823996424 /nfs/dbraw/zinc/99/64/24/823996424.db2.gz HPZUWKAXIIQTLP-UHFFFAOYSA-N 2 0 380.717 4.256 20 0 GIADRP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000414806628 824037963 /nfs/dbraw/zinc/03/79/63/824037963.db2.gz HWWFDPFSXYPYLZ-KBPBESRZSA-N 2 0 379.426 4.232 20 0 GIADRP CCOc1cc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)ccc1OCC(F)(F)F ZINC000414815866 824039251 /nfs/dbraw/zinc/03/92/51/824039251.db2.gz YPDKQIRKFQFZQX-AWEZNQCLSA-N 2 0 382.426 4.336 20 0 GIADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000414819848 824039536 /nfs/dbraw/zinc/03/95/36/824039536.db2.gz ZUIGHKVNKAXVPT-UONOGXRCSA-N 2 0 395.425 4.112 20 0 GIADRP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414841371 824040802 /nfs/dbraw/zinc/04/08/02/824040802.db2.gz NTGDGELMGFBHHK-QWHCGFSZSA-N 2 0 391.865 4.055 20 0 GIADRP C[C@@H]([NH2+]Cc1cnc(-c2ccc(Br)cc2)s1)[C@H]1CCC[NH2+]C1 ZINC000414856219 824043016 /nfs/dbraw/zinc/04/30/16/824043016.db2.gz OCORLVSHNHTQDX-OCCSQVGLSA-N 2 0 380.355 4.050 20 0 GIADRP COc1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(-c2ccccc2)cc1OC ZINC000570515641 823048872 /nfs/dbraw/zinc/04/88/72/823048872.db2.gz MEXZRRDKKAHFTK-PMACEKPBSA-N 2 0 380.532 4.192 20 0 GIADRP OCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1ccc(Cl)cc1 ZINC000570592689 823059104 /nfs/dbraw/zinc/05/91/04/823059104.db2.gz GJTJRNOGCUZGPZ-YPIGPJMWSA-N 2 0 384.951 4.264 20 0 GIADRP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)ccc1OCc1ccncc1 ZINC000120858101 823078087 /nfs/dbraw/zinc/07/80/87/823078087.db2.gz HOUHTCRPHFBQSY-QFIPXVFZSA-N 2 0 397.563 4.127 20 0 GIADRP Cc1cc2c(cc1C)[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)CCS2 ZINC000187536639 823084203 /nfs/dbraw/zinc/08/42/03/823084203.db2.gz YUXPLWAUDHGQTF-RBBKRZOGSA-N 2 0 382.573 4.197 20 0 GIADRP Cc1ccccc1NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000056156171 823091259 /nfs/dbraw/zinc/09/12/59/823091259.db2.gz RBWXAPUODYBYAV-ICSRJNTNSA-N 2 0 379.548 4.344 20 0 GIADRP CN(C)[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)c1cccc(F)c1 ZINC000571045966 823124607 /nfs/dbraw/zinc/12/46/07/823124607.db2.gz QTIPYAKEIKVFDV-XZOQPEGZSA-N 2 0 381.539 4.215 20 0 GIADRP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c2sccc21 ZINC000571137465 823139475 /nfs/dbraw/zinc/13/94/75/823139475.db2.gz QKIIVIZGCRMCGN-BSIFCXSSSA-N 2 0 397.588 4.174 20 0 GIADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000121303691 823159310 /nfs/dbraw/zinc/15/93/10/823159310.db2.gz FNQBYDOXCFMXOU-KBPBESRZSA-N 2 0 376.347 4.057 20 0 GIADRP CCCCOc1ccc(-c2nnc(C[NH+]3CCC(CC[NH+](C)C)CC3)o2)cc1 ZINC000056522013 823161543 /nfs/dbraw/zinc/16/15/43/823161543.db2.gz NMBGAJFWPUUEKV-UHFFFAOYSA-N 2 0 386.540 4.079 20 0 GIADRP COc1cc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)ccc1OCCC(C)C ZINC000459366284 823173819 /nfs/dbraw/zinc/17/38/19/823173819.db2.gz BUKGUNXWUDHYIZ-UHFFFAOYSA-N 2 0 383.536 4.274 20 0 GIADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000459371528 823175145 /nfs/dbraw/zinc/17/51/45/823175145.db2.gz IHQDYNAADWWFME-HXUWFJFHSA-N 3 0 378.564 4.215 20 0 GIADRP Oc1cccc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)c1Br ZINC000459384488 823179236 /nfs/dbraw/zinc/17/92/36/823179236.db2.gz CYYWJZWHPNPKPE-UHFFFAOYSA-N 2 0 395.366 4.218 20 0 GIADRP C[N@@H+]1CCC[C@H](CNC2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000459442378 823192586 /nfs/dbraw/zinc/19/25/86/823192586.db2.gz JKMAPBLJWXXAHZ-DYESRHJHSA-N 2 0 395.513 4.305 20 0 GIADRP C[N@@H+]1CCC[C@@H](CNC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000459442391 823192734 /nfs/dbraw/zinc/19/27/34/823192734.db2.gz JKMAPBLJWXXAHZ-UWJYYQICSA-N 2 0 395.513 4.305 20 0 GIADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cc3ccccc3n(C)c2=O)CC1 ZINC000571533569 823197272 /nfs/dbraw/zinc/19/72/72/823197272.db2.gz VWOSYRRYXXDUJW-LJQANCHMSA-N 2 0 381.564 4.015 20 0 GIADRP O=C1CC[C@H](C[N@@H+]2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)CCN1 ZINC000459517896 823209731 /nfs/dbraw/zinc/20/97/31/823209731.db2.gz GDHGNIFGKOOXEH-UPVQGACJSA-N 2 0 397.607 4.060 20 0 GIADRP OCC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000459543304 823216265 /nfs/dbraw/zinc/21/62/65/823216265.db2.gz IPNKWHSSAMHANB-IBGZPJMESA-N 2 0 380.319 4.071 20 0 GIADRP Clc1ccc(CC[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000459581297 823224973 /nfs/dbraw/zinc/22/49/73/823224973.db2.gz BUCSVKNVTLHKJH-QFIPXVFZSA-N 2 0 398.978 4.401 20 0 GIADRP C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000121780172 823249524 /nfs/dbraw/zinc/24/95/24/823249524.db2.gz MFSGCQYPWABBDS-ZWKOTPCHSA-N 2 0 395.547 4.387 20 0 GIADRP Fc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC2CC[NH+](C3CC3)CC2)c1 ZINC000459722995 823256816 /nfs/dbraw/zinc/25/68/16/823256816.db2.gz AJHOBUUDMGAZJW-LOSJGSFVSA-N 2 0 393.550 4.010 20 0 GIADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000459726695 823257177 /nfs/dbraw/zinc/25/71/77/823257177.db2.gz GNAUPFYZEHAUPJ-HNNXBMFYSA-N 2 0 379.957 4.197 20 0 GIADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)c1 ZINC000122305435 823335520 /nfs/dbraw/zinc/33/55/20/823335520.db2.gz XPZQRPYAYQRMTR-MRXNPFEDSA-N 2 0 378.463 4.388 20 0 GIADRP C[NH+](C)Cc1ccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)cc1 ZINC000017319429 818509396 /nfs/dbraw/zinc/50/93/96/818509396.db2.gz ANZFKXAUEGJRBT-UHFFFAOYSA-N 2 0 397.526 4.286 20 0 GIADRP Cc1ccc2cc(C[NH2+]Cc3ccc(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)ccc2n1 ZINC000189242671 823380841 /nfs/dbraw/zinc/38/08/41/823380841.db2.gz VSIROSOXYYDRHM-BGYRXZFFSA-N 2 0 389.543 4.442 20 0 GIADRP Cc1ccc2cc(C[NH2+]Cc3ccccc3C[NH+]3C[C@H](C)O[C@@H](C)C3)ccc2n1 ZINC000189271087 823384235 /nfs/dbraw/zinc/38/42/35/823384235.db2.gz XCZJDUWCILYMBM-PMACEKPBSA-N 2 0 389.543 4.442 20 0 GIADRP Cc1cc(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn2ccnc12 ZINC000572815137 823404587 /nfs/dbraw/zinc/40/45/87/823404587.db2.gz HGSFTXNIBLOGDZ-NQIIRXRSSA-N 2 0 391.519 4.160 20 0 GIADRP c1ccc(-c2noc([C@@H](c3ccccc3)[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000573091680 823446350 /nfs/dbraw/zinc/44/63/50/823446350.db2.gz LASZVGUQRZZRNB-FGZHOGPDSA-N 2 0 388.515 4.148 20 0 GIADRP C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000026368986 820091070 /nfs/dbraw/zinc/09/10/70/820091070.db2.gz MIJQWICDYADBFQ-ROUUACIJSA-N 2 0 399.966 4.160 20 0 GIADRP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000573170682 823459319 /nfs/dbraw/zinc/45/93/19/823459319.db2.gz HRKTWNCUHKIDPL-IFMALSPDSA-N 2 0 389.547 4.220 20 0 GIADRP C[NH+](C)CCCC1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000123299613 823492825 /nfs/dbraw/zinc/49/28/25/823492825.db2.gz QJDDEBCGHRVXKQ-UHFFFAOYSA-N 2 0 386.367 4.376 20 0 GIADRP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(I)cc1 ZINC000037786430 821093643 /nfs/dbraw/zinc/09/36/43/821093643.db2.gz ZIHVZODNEZDFTD-CYBMUJFWSA-N 2 0 386.321 4.205 20 0 GIADRP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCCCc2cccc(C(F)(F)F)c2)CC1 ZINC000190048672 823530465 /nfs/dbraw/zinc/53/04/65/823530465.db2.gz YGQOYRAIHIJAAD-NRFANRHFSA-N 2 0 397.529 4.130 20 0 GIADRP C[C@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000180690795 821397050 /nfs/dbraw/zinc/39/70/50/821397050.db2.gz VGEBFBGQDYMNHF-YWZLYKJASA-N 2 0 396.453 4.030 20 0 GIADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(-c2ccccc2)o1 ZINC000180995628 821582420 /nfs/dbraw/zinc/58/24/20/821582420.db2.gz YGOJFJSZJDCOQC-SFHVURJKSA-N 2 0 391.515 4.089 20 0 GIADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cc2cc(Br)ccc2o1 ZINC000181733231 821967502 /nfs/dbraw/zinc/96/75/02/821967502.db2.gz HBEAQFPAUCRXFU-RHSMWYFYSA-N 2 0 395.341 4.083 20 0 GIADRP CCc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000181975475 822050325 /nfs/dbraw/zinc/05/03/25/822050325.db2.gz GNLZEKKWIISIBB-QGZVFWFLSA-N 2 0 393.531 4.137 20 0 GIADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)CCCO2 ZINC000182260216 822173978 /nfs/dbraw/zinc/17/39/78/822173978.db2.gz POFSHNVLVNEUGG-UPVQGACJSA-N 2 0 394.559 4.380 20 0 GIADRP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000182266172 822177980 /nfs/dbraw/zinc/17/79/80/822177980.db2.gz JZZUFIPHWJMFEA-JXFKEZNVSA-N 2 0 388.939 4.156 20 0 GIADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(SC(F)F)cc1 ZINC000182266119 822178270 /nfs/dbraw/zinc/17/82/70/822178270.db2.gz FAGIFOSGXFLFMA-BEFAXECRSA-N 2 0 392.515 4.419 20 0 GIADRP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c2ccccc12 ZINC000182270848 822181327 /nfs/dbraw/zinc/18/13/27/822181327.db2.gz DUYNYIXUBZLBLW-RXVVDRJESA-N 2 0 390.527 4.266 20 0 GIADRP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c2ccccc12 ZINC000182270879 822181487 /nfs/dbraw/zinc/18/14/87/822181487.db2.gz DUYNYIXUBZLBLW-NQIIRXRSSA-N 2 0 390.527 4.266 20 0 GIADRP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000182273411 822181975 /nfs/dbraw/zinc/18/19/75/822181975.db2.gz JSVMHYULUGLPLZ-KXBFYZLASA-N 2 0 387.593 4.166 20 0 GIADRP COc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)cc1C[NH+]1CCCCC1 ZINC000182285351 822186726 /nfs/dbraw/zinc/18/67/26/822186726.db2.gz XBFNZTLRSKVWEQ-JTSKRJEESA-N 2 0 386.511 4.204 20 0 GIADRP CC[NH+](CC)Cc1cc([C@@H](C)NC2CC[NH+](CC(C)C)CC2)ccc1OC ZINC000182312864 822198935 /nfs/dbraw/zinc/19/89/35/822198935.db2.gz VVEDDZWLQDXSIW-LJQANCHMSA-N 2 0 375.601 4.308 20 0 GIADRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(Br)s1 ZINC000178035133 822292151 /nfs/dbraw/zinc/29/21/51/822292151.db2.gz YYUVYZDESXWKQR-MCIONIFRSA-N 2 0 375.376 4.051 20 0 GIADRP COc1cc(C)c([C@@H](C)[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1OC ZINC000178036838 822292926 /nfs/dbraw/zinc/29/29/26/822292926.db2.gz OXJQKMRSVAFTKZ-ZWKOTPCHSA-N 2 0 386.536 4.364 20 0 GIADRP Cc1cnc(CC[NH2+][C@H](CCC[NH+]2CCC(C)CC2)c2ccc(F)cc2)cn1 ZINC000453407593 822358685 /nfs/dbraw/zinc/35/86/85/822358685.db2.gz SDEYXDJSCUAGML-HSZRJFAPSA-N 2 0 384.543 4.310 20 0 GIADRP C[N@H+](CCCC[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1)C1CC1 ZINC000453420120 822360385 /nfs/dbraw/zinc/36/03/85/822360385.db2.gz ZEIXPTSRRMXDKU-FQEVSTJZSA-N 2 0 395.385 4.381 20 0 GIADRP C[C@H]([NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)c1ccc([S@](C)=O)cc1 ZINC000178488889 822384639 /nfs/dbraw/zinc/38/46/39/822384639.db2.gz JVBIPDUCZIEVJM-PHPMUSLXSA-N 2 0 384.589 4.231 20 0 GIADRP COc1ccc([C@H](C)[NH2+]C[C@@H](CCO)c2ccccc2)cc1C[NH+]1CCCCC1 ZINC000183009264 822410553 /nfs/dbraw/zinc/41/05/53/822410553.db2.gz CTHYIOXJHPGRBD-NZQKXSOJSA-N 2 0 396.575 4.498 20 0 GIADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000046007942 822433836 /nfs/dbraw/zinc/43/38/36/822433836.db2.gz JUEBRGJROSXLKH-LJQANCHMSA-N 2 0 394.563 4.444 20 0 GIADRP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1Cn1cccn1 ZINC000183198870 822440028 /nfs/dbraw/zinc/44/00/28/822440028.db2.gz PLHVTKAMJITPEJ-IRFCIJBXSA-N 2 0 396.579 4.244 20 0 GIADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CC2(SC)CCOCC2)ccc1OC ZINC000183304264 822455968 /nfs/dbraw/zinc/45/59/68/822455968.db2.gz ULRFMPCLDWZFJO-QGZVFWFLSA-N 2 0 380.598 4.100 20 0 GIADRP C[C@H](c1ccccc1Cl)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000179309732 822464175 /nfs/dbraw/zinc/46/41/75/822464175.db2.gz RNGDWBBAQDOQAZ-GOSISDBHSA-N 2 0 391.987 4.105 20 0 GIADRP COc1ccc([C@H](C)[NH2+][C@H]2CCN(c3ccccn3)C2)cc1C[NH+]1CCCCC1 ZINC000183387927 822467246 /nfs/dbraw/zinc/46/72/46/822467246.db2.gz YMOKPRQKXAWJJE-UGKGYDQZSA-N 2 0 394.563 4.006 20 0 GIADRP C[C@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)c1cccc(OCC[NH+](C)C)c1 ZINC000179455937 822485729 /nfs/dbraw/zinc/48/57/29/822485729.db2.gz HCGBVTLTIZCQBF-KRWDZBQOSA-N 2 0 397.494 4.314 20 0 GIADRP C[C@H](C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1nc(-c2ccccc2)no1 ZINC000179478361 822488353 /nfs/dbraw/zinc/48/83/53/822488353.db2.gz UTPNLIAECIPOPR-MSOLQXFVSA-N 2 0 394.519 4.131 20 0 GIADRP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(SC(F)F)cc1 ZINC000179510651 822493616 /nfs/dbraw/zinc/49/36/16/822493616.db2.gz QRRCFBVNFFWECQ-CQSZACIVSA-N 2 0 381.492 4.188 20 0 GIADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000183765581 822524988 /nfs/dbraw/zinc/52/49/88/822524988.db2.gz GKXHIJXKCXHMNY-RRWXTXHCSA-N 2 0 384.486 4.102 20 0 GIADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc1 ZINC000046917545 822530548 /nfs/dbraw/zinc/53/05/48/822530548.db2.gz MSFDMACTYKGPFK-HSZRJFAPSA-N 2 0 379.548 4.095 20 0 GIADRP CC(C)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179956300 822585462 /nfs/dbraw/zinc/58/54/62/822585462.db2.gz PTVOQNWBBOVLKZ-JYWFKMLOSA-N 2 0 379.951 4.219 20 0 GIADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H](c2ccccc2F)C2CCCC2)c1 ZINC000180086813 822612513 /nfs/dbraw/zinc/61/25/13/822612513.db2.gz SMQZMRKEXAOKGW-HSZRJFAPSA-N 2 0 397.538 4.138 20 0 GIADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC(c2ccccc2)c2ccccc2)CC1 ZINC000180245485 822647490 /nfs/dbraw/zinc/64/74/90/822647490.db2.gz GAJVJQVTCLAULE-JWQCQUIFSA-N 2 0 378.560 4.176 20 0 GIADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC000180298734 822658946 /nfs/dbraw/zinc/65/89/46/822658946.db2.gz YCUVTSFNRBYEOK-UHFFFAOYSA-N 2 0 389.584 4.452 20 0 GIADRP CC(C)(C)OC(=O)NC1CCC([NH2+]C2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000180328974 822664413 /nfs/dbraw/zinc/66/44/13/822664413.db2.gz ICYPTWJKXBURFA-UHFFFAOYSA-N 2 0 379.589 4.067 20 0 GIADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000048714300 822679385 /nfs/dbraw/zinc/67/93/85/822679385.db2.gz GOTWLANFUWKGSQ-SFHVURJKSA-N 2 0 398.551 4.008 20 0 GIADRP C[C@@H]1[C@H](NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000455835291 822733903 /nfs/dbraw/zinc/73/39/03/822733903.db2.gz ACFMCGUMDHSOIZ-ZQMYSKGWSA-N 2 0 392.547 4.020 20 0 GIADRP C[C@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[C@@H](c1ccccc1)[NH+](C)C ZINC000455838566 822734779 /nfs/dbraw/zinc/73/47/79/822734779.db2.gz BUWQOQJTDBLMAP-USCONSEESA-N 2 0 380.536 4.048 20 0 GIADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCC[N@H+](CC4CCCCC4)CC3)ccc21 ZINC000455918343 822749168 /nfs/dbraw/zinc/74/91/68/822749168.db2.gz LBUITSYMHYAXEH-QHCPKHFHSA-N 2 0 398.595 4.355 20 0 GIADRP Cc1ccc([C@H](CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)[NH+]2CCCC2)o1 ZINC000455919611 822749477 /nfs/dbraw/zinc/74/94/77/822749477.db2.gz LIAFBLXUWIVDHP-RTWAWAEBSA-N 2 0 396.535 4.096 20 0 GIADRP C[C@@H]1C[C@@H](NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000455939958 822753785 /nfs/dbraw/zinc/75/37/85/822753785.db2.gz UAOZBFDLQCKKIZ-ODOSVJCGSA-N 2 0 392.547 4.020 20 0 GIADRP C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000185360358 822771321 /nfs/dbraw/zinc/77/13/21/822771321.db2.gz LYEXDFCKXYTHRC-CABCVRRESA-N 2 0 391.918 4.348 20 0 GIADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc3ccccc3n2)CC1 ZINC000174353337 822776793 /nfs/dbraw/zinc/77/67/93/822776793.db2.gz QHNHNCVCCOBHRT-SFHVURJKSA-N 2 0 392.522 4.367 20 0 GIADRP C[N@H+]1[C@@H]2CCC[C@H]1CC([NH2+]Cc1cn(-c3ccccc3)nc1-c1ccncc1)C2 ZINC000174598313 822810185 /nfs/dbraw/zinc/81/01/85/822810185.db2.gz VKXORALDDXRONH-BRTIRZTQSA-N 2 0 387.531 4.039 20 0 GIADRP CCc1cc2c(C[NH2+]Cc3ccccc3C[NH+](CC)CC)cc(=O)oc2cc1O ZINC000052816764 822811560 /nfs/dbraw/zinc/81/15/60/822811560.db2.gz PLGORJUREOTYLV-UHFFFAOYSA-N 2 0 394.515 4.193 20 0 GIADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000185864993 822828287 /nfs/dbraw/zinc/82/82/87/822828287.db2.gz ZTMFIMMXXBWYRJ-INIZCTEOSA-N 2 0 395.469 4.081 20 0 GIADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2ccccc2Cl)s1 ZINC000185879731 822829678 /nfs/dbraw/zinc/82/96/78/822829678.db2.gz DWSSOBAPRGLANY-MRXNPFEDSA-N 2 0 377.985 4.184 20 0 GIADRP Cc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc(C)c1OCc1ccccn1 ZINC000569003227 822868793 /nfs/dbraw/zinc/86/87/93/822868793.db2.gz KCAMPINJHMAIAF-YADHBBJMSA-N 2 0 379.548 4.099 20 0 GIADRP C[NH+](C)CCc1ccc(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1 ZINC000569353006 822910503 /nfs/dbraw/zinc/91/05/03/822910503.db2.gz KGVZLXGQMSAQKV-UHFFFAOYSA-N 2 0 379.548 4.071 20 0 GIADRP COc1ccccc1-c1ccc([C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000186590639 822918939 /nfs/dbraw/zinc/91/89/39/822918939.db2.gz NIQQCZORLGQMKM-UXHICEINSA-N 2 0 381.564 4.039 20 0 GIADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CC[C@H]([NH3+])c2ccccc2)cc1 ZINC000569451756 822925230 /nfs/dbraw/zinc/92/52/30/822925230.db2.gz CDWGPJRUISJFPL-XXBNENTESA-N 2 0 379.548 4.157 20 0 GIADRP CCOC(=O)C1(C)CCC([NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000570322595 823025715 /nfs/dbraw/zinc/02/57/15/823025715.db2.gz DHUPJYKPBXOVNT-YNEXMFEJSA-N 2 0 386.580 4.390 20 0 GIADRP C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1cncc(Br)c1 ZINC000570345022 823027400 /nfs/dbraw/zinc/02/74/00/823027400.db2.gz DAMKGVMFNANSCQ-HNNXBMFYSA-N 2 0 392.341 4.025 20 0 GIADRP O=C(NC1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1)c1ccccc1 ZINC000411150015 823551848 /nfs/dbraw/zinc/55/18/48/823551848.db2.gz YCIBORUVQVPYDG-UHFFFAOYSA-N 2 0 391.559 4.067 20 0 GIADRP CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411223548 823558454 /nfs/dbraw/zinc/55/84/54/823558454.db2.gz OQFGGGSBCUSJBX-HXUWFJFHSA-N 2 0 385.596 4.045 20 0 GIADRP CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411262499 823560861 /nfs/dbraw/zinc/56/08/61/823560861.db2.gz HQTKFEQSTCATCX-JOCHJYFZSA-N 2 0 385.596 4.047 20 0 GIADRP c1cc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)ccc1C[NH+]1CCCCC1 ZINC000411304482 823563581 /nfs/dbraw/zinc/56/35/81/823563581.db2.gz BVPVFGNZEXKZQV-DEOSSOPVSA-N 2 0 386.580 4.223 20 0 GIADRP O=C(NC1CCCCC1)C1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411349126 823565747 /nfs/dbraw/zinc/56/57/47/823565747.db2.gz HYIUHSVPCSRMLM-UHFFFAOYSA-N 2 0 397.607 4.333 20 0 GIADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000461107080 823578810 /nfs/dbraw/zinc/57/88/10/823578810.db2.gz IQTTVMMYPKNZPR-ZFNNOLHJSA-N 2 0 386.580 4.245 20 0 GIADRP CSc1ccccc1NC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000411547341 823587321 /nfs/dbraw/zinc/58/73/21/823587321.db2.gz BZCRUXBCZVNLEX-UYAOXDASSA-N 2 0 397.588 4.237 20 0 GIADRP CN1CC[C@@H](C[N@H+](C)Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H]1c1cccnc1 ZINC000411577862 823589044 /nfs/dbraw/zinc/58/90/44/823589044.db2.gz ARWMWZDDDYTLBT-DQEYMECFSA-N 2 0 392.591 4.192 20 0 GIADRP Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411702401 823597971 /nfs/dbraw/zinc/59/79/71/823597971.db2.gz QESIUXVNJCAUJE-PKTZIBPZSA-N 2 0 376.548 4.226 20 0 GIADRP Cc1c([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1C(C)C ZINC000191224037 823660775 /nfs/dbraw/zinc/66/07/75/823660775.db2.gz YFBGKSFRLNMZGD-CEXWTWQISA-N 2 0 384.568 4.232 20 0 GIADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3ccc(Cl)c(F)c3)CC2)cc1 ZINC000063319553 823662088 /nfs/dbraw/zinc/66/20/88/823662088.db2.gz RDTIDSDXALWALK-UHFFFAOYSA-N 2 0 376.903 4.490 20 0 GIADRP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000125514741 823682071 /nfs/dbraw/zinc/68/20/71/823682071.db2.gz JPSYFJWPBMBMHP-SFHVURJKSA-N 2 0 397.588 4.438 20 0 GIADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000063745532 823693150 /nfs/dbraw/zinc/69/31/50/823693150.db2.gz BJFYQGKUMUKZNZ-UHFFFAOYSA-N 2 0 385.596 4.257 20 0 GIADRP COc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1OCc1ccccc1 ZINC000574486445 823744787 /nfs/dbraw/zinc/74/47/87/823744787.db2.gz FXUCBGCTLNKLHP-FGZHOGPDSA-N 2 0 380.532 4.190 20 0 GIADRP CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(CN3CCOCC3)c2)cc1OCC ZINC000163756199 823745583 /nfs/dbraw/zinc/74/55/83/823745583.db2.gz BKDZIVYVUDNZNM-LJQANCHMSA-N 2 0 398.547 4.167 20 0 GIADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000163762729 823746180 /nfs/dbraw/zinc/74/61/80/823746180.db2.gz VCAFAQLNPPZYEN-GOSISDBHSA-N 2 0 381.520 4.336 20 0 GIADRP C[C@@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccccc1F ZINC000163933119 823761984 /nfs/dbraw/zinc/76/19/84/823761984.db2.gz SCTKBFFKSHIPOH-GOSISDBHSA-N 2 0 386.511 4.166 20 0 GIADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)C1 ZINC000125997601 823763153 /nfs/dbraw/zinc/76/31/53/823763153.db2.gz OMZOJSBXPMYWFN-KRWDZBQOSA-N 2 0 381.967 4.154 20 0 GIADRP CC[C@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccccc1 ZINC000163947691 823764161 /nfs/dbraw/zinc/76/41/61/823764161.db2.gz ZGMKBAVUHPZXIE-DEOSSOPVSA-N 2 0 382.548 4.417 20 0 GIADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000164017706 823770811 /nfs/dbraw/zinc/77/08/11/823770811.db2.gz AGSDUWZZNIATPU-NRFANRHFSA-N 3 0 395.591 4.464 20 0 GIADRP C[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)c1ccc([S@](C)=O)cc1 ZINC000164511215 823805725 /nfs/dbraw/zinc/80/57/25/823805725.db2.gz LCLSWEDADCKMAR-KWMCUTETSA-N 2 0 396.556 4.500 20 0 GIADRP C[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)c1ccc2c(c1)OCO2 ZINC000164523613 823806517 /nfs/dbraw/zinc/80/65/17/823806517.db2.gz ZNHRFQMYWMLAAQ-QGZVFWFLSA-N 2 0 378.472 4.491 20 0 GIADRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000574883183 823850716 /nfs/dbraw/zinc/85/07/16/823850716.db2.gz BHTAMDJSWCGOHX-KRWDZBQOSA-N 2 0 387.518 4.308 20 0 GIADRP Clc1ccc([C@@H]2CCC[C@@H]([NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)C2)cc1 ZINC000414081599 823904300 /nfs/dbraw/zinc/90/43/00/823904300.db2.gz FEBSMFCWTDVECE-SFGWALBWSA-N 2 0 376.972 4.457 20 0 GIADRP CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000126749746 823941400 /nfs/dbraw/zinc/94/14/00/823941400.db2.gz QNZRBTQPZAJYJB-MSOLQXFVSA-N 2 0 385.527 4.388 20 0 GIADRP C[C@H](Cc1ccc(C(C)(C)C)cc1)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000575219176 823943461 /nfs/dbraw/zinc/94/34/61/823943461.db2.gz XPCBYOWUQMEJEB-GBHCCQNKSA-N 2 0 397.651 4.406 20 0 GIADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000414274304 823949373 /nfs/dbraw/zinc/94/93/73/823949373.db2.gz UPMYYWSLAJUGJF-UHFFFAOYSA-N 2 0 378.495 4.205 20 0 GIADRP CC(C)c1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cc1 ZINC000414320849 823957799 /nfs/dbraw/zinc/95/77/99/823957799.db2.gz CZBAZLVJBQZYRX-IBGZPJMESA-N 2 0 393.575 4.358 20 0 GIADRP CC(C)C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1cccs1 ZINC000414325579 823958990 /nfs/dbraw/zinc/95/89/90/823958990.db2.gz MJZFOACLNWFAHO-OAQYLSRUSA-N 2 0 399.604 4.322 20 0 GIADRP Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cc1C ZINC000414331263 823959697 /nfs/dbraw/zinc/95/96/97/823959697.db2.gz STPDMDXQVUEMIO-FQEVSTJZSA-N 2 0 393.575 4.160 20 0 GIADRP CCc1ccc([C@H](CC)[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cc1 ZINC000414336430 823960708 /nfs/dbraw/zinc/96/07/08/823960708.db2.gz ZGJWLTCRLFSVOU-DEOSSOPVSA-N 2 0 393.575 4.187 20 0 GIADRP Fc1ccc(N2CC[C@@H]([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)cc1 ZINC000414342625 823961840 /nfs/dbraw/zinc/96/18/40/823961840.db2.gz ITUBULANWGMBDZ-CJTFWIGWSA-N 2 0 379.523 4.190 20 0 GIADRP CN(c1ccccc1C[NH2+]C[C@@H]1CCO[C@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000192376351 823964926 /nfs/dbraw/zinc/96/49/26/823964926.db2.gz HJQUABFJTSCPIB-DHLKQENFSA-N 2 0 393.575 4.084 20 0 GIADRP C[N@H+](Cc1ccccc1NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)C1CCCCC1 ZINC000414703010 824025082 /nfs/dbraw/zinc/02/50/82/824025082.db2.gz BSEHXDLGIBGOMM-WMQCIHAUSA-N 2 0 384.568 4.042 20 0 GIADRP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2cc(Br)ccc2OC(F)F)cc1 ZINC000414811227 824038250 /nfs/dbraw/zinc/03/82/50/824038250.db2.gz PITDHFSMVKHKDD-LLVKDONJSA-N 2 0 385.252 4.360 20 0 GIADRP CCCOc1c(Br)cc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1OCC ZINC000414855822 824042569 /nfs/dbraw/zinc/04/25/69/824042569.db2.gz NSYJWQZMSLPBDP-ZBFHGGJFSA-N 2 0 399.373 4.114 20 0 GIADRP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414856118 824042621 /nfs/dbraw/zinc/04/26/21/824042621.db2.gz NXJAQGYFOABSJS-UPJWGTAASA-N 2 0 391.865 4.054 20 0 GIADRP COc1cc(C[NH2+][C@H](C)CC[NH3+])ccc1OCc1cccc(C(F)(F)F)c1 ZINC000414903497 824048099 /nfs/dbraw/zinc/04/80/99/824048099.db2.gz ZVRRYPBCGXQHSB-CQSZACIVSA-N 2 0 382.426 4.120 20 0 GIADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H]3CCCNc4ccccc43)cc2)C[C@@H](C)O1 ZINC000192636700 824052674 /nfs/dbraw/zinc/05/26/74/824052674.db2.gz RKNOXKLCWAIURA-KHCICDEESA-N 2 0 379.548 4.332 20 0 GIADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000414966225 824055280 /nfs/dbraw/zinc/05/52/80/824055280.db2.gz OGTDZCWQJAZHJQ-GMAHTHKFSA-N 2 0 398.595 4.101 20 0 GIADRP CC(C)Oc1cc[nH+]c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164839787 720696590 /nfs/dbraw/zinc/69/65/90/720696590.db2.gz BVGPHEDZFZBTKT-NRFANRHFSA-N 2 0 395.547 4.129 20 0 GIADRP Cc1[nH+]c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc2[nH]ccc21 ZINC001165026773 721821151 /nfs/dbraw/zinc/82/11/51/721821151.db2.gz QEPLTZAUTKVIKN-WEYGHZABSA-N 2 0 375.520 4.003 20 0 GIADRP OCC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1ccc(Cl)cc1 ZINC000570592687 823059062 /nfs/dbraw/zinc/05/90/62/823059062.db2.gz GJTJRNOGCUZGPZ-XBYSBRQOSA-N 2 0 384.951 4.264 20 0 GIADRP C[C@H](C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1Cl)CN1CC[NH+](C)CC1 ZINC000120817797 823070399 /nfs/dbraw/zinc/07/03/99/823070399.db2.gz FFBWTEYFPYJGEB-CHWSQXEVSA-N 2 0 378.775 4.181 20 0 GIADRP C[C@H](C[NH2+][C@@H](C)c1ccc(-c2ccccc2F)s1)CN1CC[NH+](C)CC1 ZINC000120874563 823080668 /nfs/dbraw/zinc/08/06/68/823080668.db2.gz VDRZHQQGAGOMFR-SJORKVTESA-N 2 0 375.557 4.088 20 0 GIADRP CCc1cc2c(C[NH2+]Cc3cccc(C[NH+](CC)CC)c3)cc(=O)oc2cc1O ZINC000056184909 823098043 /nfs/dbraw/zinc/09/80/43/823098043.db2.gz OJTYDCWDZDEWQB-UHFFFAOYSA-N 2 0 394.515 4.193 20 0 GIADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)C(=O)Nc2ccc(F)cc2Cl)c1 ZINC000056184958 823098132 /nfs/dbraw/zinc/09/81/32/823098132.db2.gz VCCNBLWJXLQGKE-HNNXBMFYSA-N 2 0 391.918 4.438 20 0 GIADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](O)COC(c2ccccc2)c2ccccc2)CC1 ZINC000571039771 823124169 /nfs/dbraw/zinc/12/41/69/823124169.db2.gz JTCUZFLLJRBWIR-HSZRJFAPSA-N 2 0 396.575 4.006 20 0 GIADRP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000571099579 823132078 /nfs/dbraw/zinc/13/20/78/823132078.db2.gz NIFJKLXXWRCNMT-NLSFWIRASA-N 2 0 383.580 4.192 20 0 GIADRP C[C@H]1C[C@H](N(C)C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000121225657 823142255 /nfs/dbraw/zinc/14/22/55/823142255.db2.gz TZNCJEDZZWGSQP-WMZHIEFXSA-N 2 0 394.563 4.265 20 0 GIADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)CCCS2 ZINC000187896825 823154186 /nfs/dbraw/zinc/15/41/86/823154186.db2.gz BKYQEKMZWLYGTJ-HXUWFJFHSA-N 2 0 386.561 4.352 20 0 GIADRP C[N@H+](Cc1ccccc1NC(=O)NCC[C@@H]1CCC[NH+](C)C1)C1CCCCC1 ZINC000459271220 823154474 /nfs/dbraw/zinc/15/44/74/823154474.db2.gz VXERXRYPGQRKSN-IBGZPJMESA-N 2 0 386.584 4.305 20 0 GIADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCCSc3ccc(Cl)cc32)CC1 ZINC000121293975 823156886 /nfs/dbraw/zinc/15/68/86/823156886.db2.gz KJVRCHAHZIEWRE-LPHOPBHVSA-N 2 0 382.017 4.130 20 0 GIADRP Cc1nc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)oc1-c1ccc(Cl)cc1 ZINC000571288310 823160220 /nfs/dbraw/zinc/16/02/20/823160220.db2.gz XIQURKTYSIBIHN-OALUTQOASA-N 2 0 389.927 4.022 20 0 GIADRP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056522163 823161519 /nfs/dbraw/zinc/16/15/19/823161519.db2.gz LDNSQUJOLRTCIU-CQSZACIVSA-N 2 0 396.457 4.480 20 0 GIADRP Cc1c(C[NH+]2CCSCC2)cccc1NC1CCN(c2cc[nH+]cc2)CC1 ZINC000459357146 823170442 /nfs/dbraw/zinc/17/04/42/823170442.db2.gz RKLSUWDGJMMKPK-UHFFFAOYSA-N 2 0 382.577 4.020 20 0 GIADRP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000571427860 823181254 /nfs/dbraw/zinc/18/12/54/823181254.db2.gz PYXWPAQAQUQOID-ICDZXHCJSA-N 2 0 394.607 4.250 20 0 GIADRP C[C@H](Cc1cc(Br)ccc1F)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459447051 823193894 /nfs/dbraw/zinc/19/38/94/823193894.db2.gz VQRNAZUBWKWBRZ-CQSZACIVSA-N 2 0 392.316 4.173 20 0 GIADRP Cc1nc2scc(C3CC3)n2c1C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000459476023 823200330 /nfs/dbraw/zinc/20/03/30/823200330.db2.gz DZGZPZWUCGRUOX-UHFFFAOYSA-N 2 0 395.576 4.325 20 0 GIADRP Brc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)CS2 ZINC000459528083 823212234 /nfs/dbraw/zinc/21/22/34/823212234.db2.gz WXOVZCXEHHLTPH-KRWDZBQOSA-N 2 0 390.350 4.250 20 0 GIADRP C[NH+](C)Cc1cccc(CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)c1 ZINC000056764183 823208975 /nfs/dbraw/zinc/20/89/75/823208975.db2.gz MUBQFPDXRNBQQA-UHFFFAOYSA-N 2 0 394.563 4.098 20 0 GIADRP Clc1ccc([C@@H]2CCCCC[C@@H]2[NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)cc1 ZINC000571633874 823212675 /nfs/dbraw/zinc/21/26/75/823212675.db2.gz DIZPRIQSQDXIRB-OALUTQOASA-N 2 0 387.959 4.131 20 0 GIADRP C[NH+](C)CCC1CC[NH+](CCC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000121665162 823225696 /nfs/dbraw/zinc/22/56/96/823225696.db2.gz FWXSRXLRPZSDAH-UHFFFAOYSA-N 2 0 379.548 4.346 20 0 GIADRP C[C@H]([NH2+]Cc1cccc(C[NH2+][C@@H](C)c2cncc(F)c2)c1)c1cncc(F)c1 ZINC000459622622 823231276 /nfs/dbraw/zinc/23/12/76/823231276.db2.gz PHRGGDJZZSQSCZ-HOTGVXAUSA-N 2 0 382.458 4.456 20 0 GIADRP Fc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2N[C@H]2CC[NH+]3CCC[C@@H]3C2)c1 ZINC000459729071 823257525 /nfs/dbraw/zinc/25/75/25/823257525.db2.gz GEZAUWAPAFMUJI-FQUZAXHOSA-N 2 0 393.550 4.010 20 0 GIADRP CCCOc1c(Br)cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000459735897 823258440 /nfs/dbraw/zinc/25/84/40/823258440.db2.gz PYJYBUSXYZZCOY-OAHLLOKOSA-N 2 0 399.373 4.068 20 0 GIADRP CCCOc1c(Br)cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000459735895 823258484 /nfs/dbraw/zinc/25/84/84/823258484.db2.gz PYJYBUSXYZZCOY-HNNXBMFYSA-N 2 0 399.373 4.068 20 0 GIADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000177357094 823444245 /nfs/dbraw/zinc/44/42/45/823444245.db2.gz KYGOYRCYBZVLOJ-ZCNNSNEGSA-N 2 0 379.589 4.017 20 0 GIADRP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000573132448 823451920 /nfs/dbraw/zinc/45/19/20/823451920.db2.gz YILFRLVKLYRGSP-UHFFFAOYSA-N 2 0 381.545 4.430 20 0 GIADRP COc1ccc2oc(C[NH2+]Cc3ccc(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)cc2c1 ZINC000123060586 823455491 /nfs/dbraw/zinc/45/54/91/823455491.db2.gz RNZYIEORHJMHFM-HDICACEKSA-N 2 0 394.515 4.340 20 0 GIADRP Cc1cccc2oc(CC[NH2+][C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)nc21 ZINC000410356302 823472050 /nfs/dbraw/zinc/47/20/50/823472050.db2.gz BHYISUYSCPTPFU-PWRODBHTSA-N 2 0 375.516 4.179 20 0 GIADRP c1c(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000030907272 820707094 /nfs/dbraw/zinc/70/70/94/820707094.db2.gz PKGJVPPETXKEEA-NRFANRHFSA-N 2 0 386.543 4.172 20 0 GIADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000060275715 823514144 /nfs/dbraw/zinc/51/41/44/823514144.db2.gz GGHXVAFAARTYND-JOCHJYFZSA-N 2 0 385.596 4.113 20 0 GIADRP C[N@H+](Cc1ccccc1NC(=O)NC1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000043391178 821401264 /nfs/dbraw/zinc/40/12/64/821401264.db2.gz PIMVVPJMRCFCLU-UHFFFAOYSA-N 2 0 384.568 4.199 20 0 GIADRP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c2ccccc21 ZINC000180976203 821568663 /nfs/dbraw/zinc/56/86/63/821568663.db2.gz DYNGIMWRIZRUGC-DVECYGJZSA-N 2 0 391.559 4.240 20 0 GIADRP CC1(C)[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C[C@H]1c1ccccc1 ZINC000181016950 821595246 /nfs/dbraw/zinc/59/52/46/821595246.db2.gz FLLIMIUQPDONTB-BJKOFHAPSA-N 2 0 378.560 4.315 20 0 GIADRP COCCc1nc(C)c([C@@H](C)[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000181391180 821801971 /nfs/dbraw/zinc/80/19/71/821801971.db2.gz QBNXOPJBRPBOKN-QGZVFWFLSA-N 2 0 387.593 4.203 20 0 GIADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2cccc(Cl)c2)CC1 ZINC000181420856 821817277 /nfs/dbraw/zinc/81/72/77/821817277.db2.gz OANRZILJBFSRHY-GOSISDBHSA-N 2 0 399.966 4.080 20 0 GIADRP CC(C)[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(F)c(F)c1 ZINC000182109409 822097563 /nfs/dbraw/zinc/09/75/63/822097563.db2.gz FJYJHDRYIKQKFP-HSZRJFAPSA-N 2 0 388.502 4.408 20 0 GIADRP COc1ccc([C@H](C)[NH2+]C[C@H](c2ccco2)N(C)C)cc1C[NH+]1CCCCC1 ZINC000182204699 822146047 /nfs/dbraw/zinc/14/60/47/822146047.db2.gz ZJESYOUHXDGVQC-GHTZIAJQSA-N 2 0 385.552 4.228 20 0 GIADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000182235470 822159852 /nfs/dbraw/zinc/15/98/52/822159852.db2.gz ZUZVTWOCUHTVHV-FYYLOGMGSA-N 2 0 392.543 4.179 20 0 GIADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc2ccccc2n1 ZINC000182243351 822164213 /nfs/dbraw/zinc/16/42/13/822164213.db2.gz QEHKIWGTKRFSAA-XMSQKQJNSA-N 2 0 375.516 4.042 20 0 GIADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(-c2ccccc2)o1 ZINC000182266721 822178378 /nfs/dbraw/zinc/17/83/78/822178378.db2.gz FGFCNFPNWRQAFK-AVRDEDQJSA-N 2 0 376.500 4.364 20 0 GIADRP COc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(OC)c(C[NH+]3CCCCC3)c2)cc1 ZINC000182286772 822187636 /nfs/dbraw/zinc/18/76/36/822187636.db2.gz BUYWJVSMKBQIDM-JPYJTQIMSA-N 2 0 398.547 4.074 20 0 GIADRP COc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2cccc(F)c2)cc1C[NH+]1CCCCC1 ZINC000182629136 822330058 /nfs/dbraw/zinc/33/00/58/822330058.db2.gz NYFLQFVXMMBCEI-VGOFRKELSA-N 2 0 386.511 4.204 20 0 GIADRP COc1ccc([C@@H](C)[NH2+]C[C@H](O)c2cccc(F)c2)cc1C[NH+]1CCCCC1 ZINC000182629103 822330146 /nfs/dbraw/zinc/33/01/46/822330146.db2.gz NYFLQFVXMMBCEI-VGSWGCGISA-N 2 0 386.511 4.204 20 0 GIADRP COc1cc([C@H](C)[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)cc(OC)c1OC ZINC000178634871 822398078 /nfs/dbraw/zinc/39/80/78/822398078.db2.gz SYGXZWBYQOHZBK-SFHVURJKSA-N 2 0 398.547 4.275 20 0 GIADRP FC(F)Sc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000182994005 822407274 /nfs/dbraw/zinc/40/72/74/822407274.db2.gz XTEYZYKRWTWTSE-QRWLVFNGSA-N 2 0 396.547 4.469 20 0 GIADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H](C)Cc2c(C)nn(C)c2C)ccc1OC ZINC000183029558 822414140 /nfs/dbraw/zinc/41/41/40/822414140.db2.gz DRGPJAIPECPGND-SJORKVTESA-N 2 0 386.584 4.169 20 0 GIADRP C[C@H]([NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183100601 822424449 /nfs/dbraw/zinc/42/44/49/822424449.db2.gz JEDABQCFPNBFPZ-AZUAARDMSA-N 2 0 393.616 4.266 20 0 GIADRP COc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1C[NH+]1CCCCC1 ZINC000183179824 822436552 /nfs/dbraw/zinc/43/65/52/822436552.db2.gz SWNOYDQLTWPDTM-KRWDZBQOSA-N 2 0 383.492 4.440 20 0 GIADRP COc1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc(OC)c1OC ZINC000183185259 822437503 /nfs/dbraw/zinc/43/75/03/822437503.db2.gz HKWCPJNUYKKQCL-YESZJQIVSA-N 2 0 376.541 4.016 20 0 GIADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000183226186 822444267 /nfs/dbraw/zinc/44/42/67/822444267.db2.gz AWJHQQHTNCSFEO-CVEARBPZSA-N 2 0 385.474 4.277 20 0 GIADRP Cc1cc([C@H](C)[NH2+][C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(C)s1 ZINC000179371556 822472690 /nfs/dbraw/zinc/47/26/90/822472690.db2.gz ZYHVPHFRPLYOPO-ROUUACIJSA-N 2 0 399.604 4.185 20 0 GIADRP CCc1cccc(C)c1NC(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179388651 822475571 /nfs/dbraw/zinc/47/55/71/822475571.db2.gz SSSPUGWNMPAXEB-UHFFFAOYSA-N 2 0 394.563 4.129 20 0 GIADRP Cc1ccc2c(C[N@H+](C)CCC3CCN(c4cc[nH+]cc4)CC3)cc(=O)oc2c1 ZINC000179392802 822476194 /nfs/dbraw/zinc/47/61/94/822476194.db2.gz JWAPIAGJDXFKCX-UHFFFAOYSA-N 2 0 391.515 4.235 20 0 GIADRP CC(=O)Nc1cccc([C@H](C)[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000183498469 822486277 /nfs/dbraw/zinc/48/62/77/822486277.db2.gz NHYVPOQYFPWANC-IBGZPJMESA-N 2 0 395.547 4.013 20 0 GIADRP CN1CC[C@H](C[NH2+]C2CC[NH+](C(C)(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000179508473 822493193 /nfs/dbraw/zinc/49/31/93/822493193.db2.gz NNYGNIWHRMVCSO-OXQOHEQNSA-N 2 0 381.967 4.324 20 0 GIADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000179509464 822493405 /nfs/dbraw/zinc/49/34/05/822493405.db2.gz FRTAHBKEFRPGHZ-INIZCTEOSA-N 2 0 396.560 4.305 20 0 GIADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCSc3ccc(Cl)cc32)ccn1 ZINC000179511227 822493608 /nfs/dbraw/zinc/49/36/08/822493608.db2.gz ZWWKRUWICFEFPN-KRWDZBQOSA-N 2 0 377.941 4.002 20 0 GIADRP OC1CC[NH+](Cc2ccc(C[NH2+]CC3CCC(C(F)(F)F)CC3)cc2)CC1 ZINC000183701961 822514113 /nfs/dbraw/zinc/51/41/13/822514113.db2.gz NDVBZAGQWLWEFR-UHFFFAOYSA-N 2 0 384.486 4.102 20 0 GIADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000184083857 822575608 /nfs/dbraw/zinc/57/56/08/822575608.db2.gz OCOIIWWHVQGIEA-QEEYODRMSA-N 2 0 384.395 4.276 20 0 GIADRP C[NH+](C)CCc1ccccc1NC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000455231273 822613623 /nfs/dbraw/zinc/61/36/23/822613623.db2.gz QVQQQCNKMHOTAM-UHFFFAOYSA-N 2 0 388.600 4.155 20 0 GIADRP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(Cl)c(F)c1 ZINC000180171234 822632049 /nfs/dbraw/zinc/63/20/49/822632049.db2.gz XEVCRSBYVQQWHL-MFXLTOHQSA-N 2 0 388.914 4.298 20 0 GIADRP Cn1c2ccccc2nc1CCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000180176185 822632827 /nfs/dbraw/zinc/63/28/27/822632827.db2.gz AQOWXUVQCNYKRG-FDFHNCONSA-N 2 0 388.559 4.006 20 0 GIADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H](c2ccccc2F)C2CCCC2)cc1 ZINC000180180056 822633529 /nfs/dbraw/zinc/63/35/29/822633529.db2.gz YVRNZRQYQDACLP-HSZRJFAPSA-N 2 0 397.538 4.138 20 0 GIADRP O=C(CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1)Nc1ccccc1Cl ZINC000048565274 822672698 /nfs/dbraw/zinc/67/26/98/822672698.db2.gz WFTJNSBUOIWTGY-UHFFFAOYSA-N 2 0 377.960 4.257 20 0 GIADRP COc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000569324935 822907788 /nfs/dbraw/zinc/90/77/88/822907788.db2.gz BBEDEEZUTDLEQK-QHCPKHFHSA-N 2 0 380.532 4.335 20 0 GIADRP COC(=O)c1ccc(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)cc1OC ZINC000569484403 822928436 /nfs/dbraw/zinc/92/84/36/822928436.db2.gz GWCWOWSNOSPRGN-UHFFFAOYSA-N 2 0 396.531 4.015 20 0 GIADRP FC(F)(F)c1cccc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000569511735 822932369 /nfs/dbraw/zinc/93/23/69/822932369.db2.gz JWBFQGCZBFICJL-ACDBMABISA-N 2 0 389.465 4.428 20 0 GIADRP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3cccc(Cl)c3)s2)CC12CCOCC2 ZINC000569811056 822971773 /nfs/dbraw/zinc/97/17/73/822971773.db2.gz UOGUPAWUKMRFOQ-INIZCTEOSA-N 2 0 376.953 4.256 20 0 GIADRP COc1ccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1OC ZINC000569833792 822974165 /nfs/dbraw/zinc/97/41/65/822974165.db2.gz DRTOZEAQUQLWNW-UHFFFAOYSA-N 2 0 380.532 4.192 20 0 GIADRP O=C(NC1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1)c1ccsc1 ZINC000411179708 823554884 /nfs/dbraw/zinc/55/48/84/823554884.db2.gz AKXRWIWSVQHDRJ-UHFFFAOYSA-N 2 0 397.588 4.128 20 0 GIADRP c1cc(C[NH+]2CCCCC2)cc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)c1 ZINC000411305630 823563813 /nfs/dbraw/zinc/56/38/13/823563813.db2.gz DPWXPHAXTRIYMI-XMMPIXPASA-N 2 0 386.580 4.223 20 0 GIADRP c1cc(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)ccc1C[NH+]1CCCCC1 ZINC000411428497 823573225 /nfs/dbraw/zinc/57/32/25/823573225.db2.gz PSADEMIDTOYTAS-OAQYLSRUSA-N 2 0 379.552 4.048 20 0 GIADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ccc(Cl)cc2Cl)CC1 ZINC000061070209 823576776 /nfs/dbraw/zinc/57/67/76/823576776.db2.gz XHDZVAKPAMYAIV-UHFFFAOYSA-N 2 0 392.374 4.421 20 0 GIADRP CC(C)[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1nnc2ccccn21 ZINC000411490565 823581023 /nfs/dbraw/zinc/58/10/23/823581023.db2.gz OJRWDBLHNLHMTH-QFIPXVFZSA-N 2 0 377.536 4.202 20 0 GIADRP CC(CC[NH+]1CCC2(CCOCC2)[C@H]1C)CC[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000411523139 823584500 /nfs/dbraw/zinc/58/45/00/823584500.db2.gz GRNFTMBWNHVENH-FGZHOGPDSA-N 2 0 392.628 4.185 20 0 GIADRP Cc1noc(C[C@H]([NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)c2ccccc2)n1 ZINC000411631407 823592615 /nfs/dbraw/zinc/59/26/15/823592615.db2.gz AVSPGHVNVMCJJH-QHCPKHFHSA-N 2 0 390.531 4.438 20 0 GIADRP O=C(NC1CC[NH+](CC2CCCC2)CC1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411713400 823599087 /nfs/dbraw/zinc/59/90/87/823599087.db2.gz WZIBTKXJQBXISO-UHFFFAOYSA-N 2 0 383.580 4.057 20 0 GIADRP CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000124578635 823607947 /nfs/dbraw/zinc/60/79/47/823607947.db2.gz XZOVCNXKIRCUKX-QRVBRYPASA-N 2 0 395.547 4.105 20 0 GIADRP COc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1F ZINC000124597622 823609767 /nfs/dbraw/zinc/60/97/67/823609767.db2.gz DBPUWYTWSKYCFT-BZSNNMDCSA-N 2 0 386.511 4.294 20 0 GIADRP Cc1nc2c(s1)[C@H]([NH2+]Cc1ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc1)CCC2 ZINC000124632704 823612802 /nfs/dbraw/zinc/61/28/02/823612802.db2.gz MTPURZHOVGMUIY-GQIGUUNPSA-N 2 0 385.577 4.228 20 0 GIADRP Cc1csc(N2CCC([NH2+]C3[C@H](C)C[NH+](Cc4ccccc4)C[C@H]3C)CC2)n1 ZINC000124697222 823618429 /nfs/dbraw/zinc/61/84/29/823618429.db2.gz UOTNBNMPAIHEQN-QZTJIDSGSA-N 2 0 398.620 4.167 20 0 GIADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412160597 823631606 /nfs/dbraw/zinc/63/16/06/823631606.db2.gz JNJNEIOXMBYPFW-UHFFFAOYSA-N 2 0 383.580 4.199 20 0 GIADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)c3cccc(C[NH+]4CCCCC4)c3)ccc21 ZINC000412376252 823650732 /nfs/dbraw/zinc/65/07/32/823650732.db2.gz HSMCAJIMOBCSNK-QHCPKHFHSA-N 2 0 377.532 4.474 20 0 GIADRP Cc1c([C@@H](C)[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cnn1C(C)C ZINC000191146688 823653649 /nfs/dbraw/zinc/65/36/49/823653649.db2.gz YQGMAKHIVURQPN-GUDVDZBRSA-N 2 0 384.568 4.232 20 0 GIADRP Cc1c([C@H](C)[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cnn1C(C)C ZINC000191146705 823653713 /nfs/dbraw/zinc/65/37/13/823653713.db2.gz YQGMAKHIVURQPN-QRVBRYPASA-N 2 0 384.568 4.232 20 0 GIADRP CC(C)N(C)c1ccc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)cn1 ZINC000191188127 823657537 /nfs/dbraw/zinc/65/75/37/823657537.db2.gz SKISEDROCKJXMI-UHFFFAOYSA-N 2 0 392.547 4.441 20 0 GIADRP CC(C)[NH+]1CCC([NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)CC1 ZINC000191528637 823695947 /nfs/dbraw/zinc/69/59/47/823695947.db2.gz VDANUGMIGDUEDH-HXUWFJFHSA-N 2 0 395.385 4.379 20 0 GIADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)c1 ZINC000163540329 823719443 /nfs/dbraw/zinc/71/94/43/823719443.db2.gz XDSCQHGDULCJKB-GOSISDBHSA-N 2 0 381.520 4.336 20 0 GIADRP COc1cc([C@@H](C)[NH2+]CC2CC[NH+](CCC(C)C)CC2)cc(OC)c1OC ZINC000163581575 823725195 /nfs/dbraw/zinc/72/51/95/823725195.db2.gz RZJKGGUHCGDIDB-QGZVFWFLSA-N 2 0 378.557 4.121 20 0 GIADRP C[C@@H](CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000574559133 823765970 /nfs/dbraw/zinc/76/59/70/823765970.db2.gz SMPJHAOYYOCPIY-WIOPSUGQSA-N 2 0 377.576 4.072 20 0 GIADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000164017816 823770779 /nfs/dbraw/zinc/77/07/79/823770779.db2.gz AGSDUWZZNIATPU-OAQYLSRUSA-N 3 0 395.591 4.464 20 0 GIADRP O=C(c1ccco1)N1CCC([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000164191073 823785069 /nfs/dbraw/zinc/78/50/69/823785069.db2.gz ZPVNTPSKZYLDAM-UHFFFAOYSA-N 2 0 395.547 4.050 20 0 GIADRP Clc1c2ccccc2sc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000064344370 823797449 /nfs/dbraw/zinc/79/74/49/823797449.db2.gz YIHCNGXMZYWIOK-UHFFFAOYSA-N 2 0 378.969 4.489 20 0 GIADRP CCCC[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000164442002 823802734 /nfs/dbraw/zinc/80/27/34/823802734.db2.gz HMNCRIGEUVEITC-HNNXBMFYSA-N 2 0 396.373 4.020 20 0 GIADRP C[C@H](C[NH2+][C@@H](C)c1ccc(-c2c(F)cccc2F)cc1)CN1CC[NH+](C)CC1 ZINC000574728363 823811964 /nfs/dbraw/zinc/81/19/64/823811964.db2.gz NJKRREFLVOQBOG-MSOLQXFVSA-N 2 0 387.518 4.166 20 0 GIADRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(-n2cncn2)cc1Cl ZINC000164633273 823813608 /nfs/dbraw/zinc/81/36/08/823813608.db2.gz PDTKYRFBSTVIDV-QGZVFWFLSA-N 2 0 375.948 4.228 20 0 GIADRP C[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000165335275 823844533 /nfs/dbraw/zinc/84/45/33/823844533.db2.gz XWLPFEQIRJURHB-IFMALSPDSA-N 2 0 391.559 4.029 20 0 GIADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000165561785 823853630 /nfs/dbraw/zinc/85/36/30/823853630.db2.gz WAUMJAWNJRGPNS-UMEGOILYSA-N 2 0 388.559 4.417 20 0 GIADRP CC[N@H+](Cc1ccc(C(=O)Nc2ccc(OCC[NH+](C)C)cc2F)cc1)C1CC1 ZINC000413898832 823862382 /nfs/dbraw/zinc/86/23/82/823862382.db2.gz HKGRLVAHZSNFQN-UHFFFAOYSA-N 2 0 399.510 4.003 20 0 GIADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000165934456 823866535 /nfs/dbraw/zinc/86/65/35/823866535.db2.gz RCJRUJWWJLMLJC-KDOFPFPSSA-N 2 0 379.545 4.265 20 0 GIADRP C[C@@H](NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000165981919 823867484 /nfs/dbraw/zinc/86/74/84/823867484.db2.gz VRIRLCPIHQKAQT-IRLDBZIGSA-N 2 0 397.607 4.058 20 0 GIADRP C[C@@H](C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)[C@H]([NH3+])c1ccccc1 ZINC000166415545 823877661 /nfs/dbraw/zinc/87/76/61/823877661.db2.gz XBKLPSPHODRXMY-XXBNENTESA-N 2 0 379.548 4.015 20 0 GIADRP Clc1ccc(CN2CCC([NH2+]C3CC[NH+](CC4CC4)CC3)CC2)cc1Cl ZINC000167900577 823897536 /nfs/dbraw/zinc/89/75/36/823897536.db2.gz BBOYDYLGXOLJNI-UHFFFAOYSA-N 2 0 396.406 4.422 20 0 GIADRP COc1cc(F)c([C@@H](C)[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1OC ZINC000168558545 823903849 /nfs/dbraw/zinc/90/38/49/823903849.db2.gz FCJIUAVFGBNVRF-HZPDHXFCSA-N 2 0 390.499 4.195 20 0 GIADRP Cc1ccc(OC(F)F)c(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000168604413 823905225 /nfs/dbraw/zinc/90/52/25/823905225.db2.gz FNHRQOOMKSSSIE-INIZCTEOSA-N 2 0 378.463 4.388 20 0 GIADRP COc1ccc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c(C)c1 ZINC000414115042 823912850 /nfs/dbraw/zinc/91/28/50/823912850.db2.gz MKYUVUOJXBMABS-ROUUACIJSA-N 2 0 385.527 4.306 20 0 GIADRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000414171948 823922787 /nfs/dbraw/zinc/92/27/87/823922787.db2.gz DNHOFFKPFXAEKV-OXJNMPFZSA-N 2 0 395.385 4.238 20 0 GIADRP CSc1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cc1F ZINC000126683271 823926435 /nfs/dbraw/zinc/92/64/35/823926435.db2.gz ZLTAPGYSRPAENQ-QGZVFWFLSA-N 2 0 387.568 4.146 20 0 GIADRP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1cccc(C(F)(F)F)c1 ZINC000414292304 823952455 /nfs/dbraw/zinc/95/24/55/823952455.db2.gz APDGCKYFTIHCKY-KRWDZBQOSA-N 2 0 392.465 4.383 20 0 GIADRP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1cccc(C(F)(F)F)c1 ZINC000414292305 823953128 /nfs/dbraw/zinc/95/31/28/823953128.db2.gz APDGCKYFTIHCKY-QGZVFWFLSA-N 2 0 392.465 4.383 20 0 GIADRP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)C1CCC(C(F)(F)F)CC1 ZINC000414297031 823953578 /nfs/dbraw/zinc/95/35/78/823953578.db2.gz GDUKNKBCTRGUHV-QHGAOEGBSA-N 2 0 398.513 4.360 20 0 GIADRP Cc1cnccc1OC1CCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000575331829 823957051 /nfs/dbraw/zinc/95/70/51/823957051.db2.gz WCTIPNSXEAWAQW-NRFANRHFSA-N 2 0 394.519 4.014 20 0 GIADRP Oc1cccc2c1CCC[C@@H]2[NH2+]C/C=C/C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000192361105 823959178 /nfs/dbraw/zinc/95/91/78/823959178.db2.gz QFPABBHVTFUCKL-HNSCLNPNSA-N 2 0 378.516 4.288 20 0 GIADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cc(C)c(O)c(C)c2)CC1 ZINC000575367581 823963065 /nfs/dbraw/zinc/96/30/65/823963065.db2.gz CDCHRHDPXSDZAB-SFHVURJKSA-N 2 0 385.527 4.141 20 0 GIADRP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cnc(-c4ccccc4)s3)CC2)C[C@@H](C)O1 ZINC000170780165 823970018 /nfs/dbraw/zinc/97/00/18/823970018.db2.gz JCAILIOUWYIOQT-QZTJIDSGSA-N 2 0 385.577 4.131 20 0 GIADRP Fc1cccc(Oc2ccc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)cn2)c1 ZINC000575768724 823989903 /nfs/dbraw/zinc/98/99/03/823989903.db2.gz BSCHBICPLCWUOQ-UHFFFAOYSA-N 2 0 378.451 4.167 20 0 GIADRP C[C@H]1C[C@H](C[NH+]2CCC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)CC[NH2+]1 ZINC000414749270 824032663 /nfs/dbraw/zinc/03/26/63/824032663.db2.gz XYPPNYWOJGWJLT-UONOGXRCSA-N 2 0 384.351 4.032 20 0 GIADRP Fc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000575962644 824039283 /nfs/dbraw/zinc/03/92/83/824039283.db2.gz OFOAKIGNGHVLMA-UNMCSNQZSA-N 2 0 390.506 4.170 20 0 GIADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)nc1 ZINC001164627499 719048738 /nfs/dbraw/zinc/04/87/38/719048738.db2.gz VKULXEOAEPNDCW-VDKIKQQVSA-N 2 0 390.575 4.212 20 0 GIADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CCc2c1ccc(OC)c2F ZINC000570547209 823052411 /nfs/dbraw/zinc/05/24/11/823052411.db2.gz ZPJGVCDZJGPZQZ-FQEVSTJZSA-N 2 0 386.511 4.332 20 0 GIADRP C[C@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000120823154 823071519 /nfs/dbraw/zinc/07/15/19/823071519.db2.gz VAOOFNWLFCWUSB-GBXCKJPGSA-N 2 0 381.564 4.115 20 0 GIADRP COc1ccccc1NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000056156216 823091378 /nfs/dbraw/zinc/09/13/78/823091378.db2.gz PRVIGQYALDWWEK-MOPGFXCFSA-N 2 0 395.547 4.186 20 0 GIADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)C(=O)Nc2cccc3ncccc32)c1 ZINC000056184737 823098084 /nfs/dbraw/zinc/09/80/84/823098084.db2.gz JFPYGRHLRDHBPB-SFHVURJKSA-N 2 0 390.531 4.193 20 0 GIADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000121089892 823116719 /nfs/dbraw/zinc/11/67/19/823116719.db2.gz AFIWMXQYOALKAT-CQSZACIVSA-N 2 0 396.373 4.019 20 0 GIADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2csc(-c3csc(C)n3)c2)CC1 ZINC000121241180 823145823 /nfs/dbraw/zinc/14/58/23/823145823.db2.gz LICXNQOWXPVZRE-HOTGVXAUSA-N 2 0 392.638 4.104 20 0 GIADRP C[C@@H]([NH2+][C@H]1CCc2c1cc(F)cc2F)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000121288648 823155997 /nfs/dbraw/zinc/15/59/97/823155997.db2.gz PDEMICNHUIFBMJ-SZNDQCEHSA-N 2 0 389.465 4.194 20 0 GIADRP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC000571307928 823163306 /nfs/dbraw/zinc/16/33/06/823163306.db2.gz VCILBDYMBUNPBW-BULWUCQVSA-N 2 0 376.610 4.099 20 0 GIADRP COc1cccc(Oc2ccc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)cn2)c1 ZINC000459395348 823182333 /nfs/dbraw/zinc/18/23/33/823182333.db2.gz UFNDZDPIJQOXLD-UHFFFAOYSA-N 2 0 390.487 4.036 20 0 GIADRP CC[C@H](Cc1ccccc1Br)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459455188 823195486 /nfs/dbraw/zinc/19/54/86/823195486.db2.gz YQEONUCPWCTRBI-QGZVFWFLSA-N 2 0 388.353 4.424 20 0 GIADRP Brc1ccc2c(c1)[C@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)CS2 ZINC000459528084 823212265 /nfs/dbraw/zinc/21/22/65/823212265.db2.gz WXOVZCXEHHLTPH-QGZVFWFLSA-N 2 0 390.350 4.250 20 0 GIADRP COc1cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc(OC)c1OCc1ccccc1 ZINC000459729307 823257560 /nfs/dbraw/zinc/25/75/60/823257560.db2.gz IZCRSGNOEJRYEU-IBGZPJMESA-N 2 0 398.547 4.104 20 0 GIADRP Cc1nc([C@H](C)[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)oc1-c1ccc(Cl)cc1 ZINC000572001515 823267902 /nfs/dbraw/zinc/26/79/02/823267902.db2.gz XKHKGNKMFUBMDU-QMIHWGKISA-N 2 0 389.927 4.193 20 0 GIADRP Cc1cnc(CC[N@@H+](C)[C@@H]2CCC[NH+](CCc3ncc(C)cc3C)CC2)c(C)c1 ZINC000572280820 823312421 /nfs/dbraw/zinc/31/24/21/823312421.db2.gz RJUHHBCTFOLCRW-HSZRJFAPSA-N 2 0 394.607 4.282 20 0 GIADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2nc(-c3ccsc3)oc2C)CC1 ZINC000122147667 823312858 /nfs/dbraw/zinc/31/28/58/823312858.db2.gz ZXBXWIRPQZXXRL-UHFFFAOYSA-N 2 0 391.581 4.282 20 0 GIADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ncc(-c3ccccc3F)o2)CC1 ZINC000122204024 823321142 /nfs/dbraw/zinc/32/11/42/823321142.db2.gz XDUNICGUYOHMHH-UHFFFAOYSA-N 2 0 389.515 4.051 20 0 GIADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000122289927 823332990 /nfs/dbraw/zinc/33/29/90/823332990.db2.gz WRZWXZWMTACZMS-IBGZPJMESA-N 2 0 389.337 4.167 20 0 GIADRP CN1CC[NH+](CCCC[NH2+][C@H](Cc2ccccc2Cl)c2cccs2)CC1 ZINC000572552214 823359618 /nfs/dbraw/zinc/35/96/18/823359618.db2.gz JZGKGRJLVVUEBE-HXUWFJFHSA-N 2 0 392.012 4.303 20 0 GIADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC[C@@H](Cc4ccccc4)C3)cc2)CC1 ZINC000189161326 823367953 /nfs/dbraw/zinc/36/79/53/823367953.db2.gz FHKFWYSFXSHBEJ-ZEQRLZLVSA-N 2 0 378.560 4.144 20 0 GIADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000189273128 823384720 /nfs/dbraw/zinc/38/47/20/823384720.db2.gz CAXQVBLCMUMBPL-XUZZJYLKSA-N 2 0 378.560 4.144 20 0 GIADRP CC[N@H+](Cc1ccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1)C(C)C ZINC000177231647 823405787 /nfs/dbraw/zinc/40/57/87/823405787.db2.gz BZOJPTWUWCVUPL-UHFFFAOYSA-N 2 0 385.596 4.444 20 0 GIADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000122951149 823438905 /nfs/dbraw/zinc/43/89/05/823438905.db2.gz LOYOKZWBKWXCBP-OAHLLOKOSA-N 2 0 393.453 4.274 20 0 GIADRP CCOc1ccccc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000573097111 823446707 /nfs/dbraw/zinc/44/67/07/823446707.db2.gz HCQBNYJITXWCHD-HSZRJFAPSA-N 2 0 394.559 4.104 20 0 GIADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000177419163 823458304 /nfs/dbraw/zinc/45/83/04/823458304.db2.gz QWNCNESOVKVPSA-OALUTQOASA-N 2 0 394.563 4.026 20 0 GIADRP CC1CC[NH+](Cc2ccc(CNC(=O)Nc3cccc(C[NH+](C)C)c3)cc2)CC1 ZINC000410334480 823466167 /nfs/dbraw/zinc/46/61/67/823466167.db2.gz FQVVMTSDQLKQFD-UHFFFAOYSA-N 2 0 394.563 4.302 20 0 GIADRP Cc1cccc2oc(CC[NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)nc21 ZINC000410363329 823474847 /nfs/dbraw/zinc/47/48/47/823474847.db2.gz WFEZREXNAHZECG-MZADTFQBSA-N 2 0 375.516 4.464 20 0 GIADRP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)CC3 ZINC000123341051 823498838 /nfs/dbraw/zinc/49/88/38/823498838.db2.gz RZHWBECHOFPROB-SFHVURJKSA-N 2 0 381.564 4.421 20 0 GIADRP Cc1cc(C)n(-c2ccccc2C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)n1 ZINC000123494658 823514366 /nfs/dbraw/zinc/51/43/66/823514366.db2.gz JEAFYCFBMLAKGK-HXUWFJFHSA-N 2 0 392.547 4.280 20 0 GIADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000189950084 823516927 /nfs/dbraw/zinc/51/69/27/823516927.db2.gz DWOMLXJLAQYHHI-PMACEKPBSA-N 2 0 399.623 4.017 20 0 GIADRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(I)cc1 ZINC000123704626 823533292 /nfs/dbraw/zinc/53/32/92/823533292.db2.gz AHOHFRYWTHITEP-CQSZACIVSA-N 2 0 394.300 4.204 20 0 GIADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(Cl)c(Cl)c1 ZINC000180643742 821379653 /nfs/dbraw/zinc/37/96/53/821379653.db2.gz WMBBUBJKLPVFNJ-KDOFPFPSSA-N 2 0 379.331 4.411 20 0 GIADRP Cc1sc2nc([C@H](C)[NH+]3CCC(CCC[NH+](C)C)CC3)nc(N)c2c1C ZINC000181191373 821687014 /nfs/dbraw/zinc/68/70/14/821687014.db2.gz NJCWUMCFVAKLOJ-AWEZNQCLSA-N 2 0 375.586 4.005 20 0 GIADRP COc1cccc2cc([C@@H](C)[NH2+]Cc3ccc(CN4CC[NH+](C)CC4)cc3)oc21 ZINC000181541782 821874318 /nfs/dbraw/zinc/87/43/18/821874318.db2.gz ATXLXGOIXVPGPC-GOSISDBHSA-N 2 0 393.531 4.040 20 0 GIADRP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000181664223 821931511 /nfs/dbraw/zinc/93/15/11/821931511.db2.gz PYIOUUVRHMZKNF-AOCRQIFASA-N 2 0 392.975 4.085 20 0 GIADRP CC(C)[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(Cl)cc1F ZINC000181954592 822044315 /nfs/dbraw/zinc/04/43/15/822044315.db2.gz ONZNEPVMSBMLET-NRFANRHFSA-N 2 0 390.934 4.113 20 0 GIADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cc2cc(Cl)ccc2o1 ZINC000181975884 822050536 /nfs/dbraw/zinc/05/05/36/822050536.db2.gz NTDCXBCOPQKMKE-HNNXBMFYSA-N 2 0 399.922 4.228 20 0 GIADRP CC(=O)Nc1ccc([C@H](C)[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000182179192 822134279 /nfs/dbraw/zinc/13/42/79/822134279.db2.gz BLPAQXXOOPZAQT-IBGZPJMESA-N 2 0 395.547 4.013 20 0 GIADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(OC(F)F)cc1 ZINC000182241152 822162728 /nfs/dbraw/zinc/16/27/28/822162728.db2.gz GVRYPUUESIDFHM-OXQOHEQNSA-N 2 0 390.474 4.096 20 0 GIADRP COc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccccc2OC)cc1C[NH+]1CCCCC1 ZINC000182537920 822289626 /nfs/dbraw/zinc/28/96/26/822289626.db2.gz XOUKEQKAWROMNB-GCJKJVERSA-N 2 0 398.547 4.074 20 0 GIADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](O)c2cccc(OCc3ccccc3)c2)CC1 ZINC000178481269 822383898 /nfs/dbraw/zinc/38/38/98/822383898.db2.gz LQADYPRSUSXZDM-HSZRJFAPSA-N 2 0 382.548 4.152 20 0 GIADRP C[C@@H]([NH2+]Cc1ccc(Br)s1)c1cccc(OCC[NH+](C)C)c1 ZINC000178713479 822405123 /nfs/dbraw/zinc/40/51/23/822405123.db2.gz DNPJMOWVKFZUPA-CYBMUJFWSA-N 2 0 383.355 4.302 20 0 GIADRP COc1ccc([C@@H](C)[NH2+]C[C@@H](CCO)c2ccccc2)cc1C[NH+]1CCCCC1 ZINC000183009284 822410568 /nfs/dbraw/zinc/41/05/68/822410568.db2.gz CTHYIOXJHPGRBD-NFBKMPQASA-N 2 0 396.575 4.498 20 0 GIADRP COc1ccc([C@@H](C)[NH2+]C[C@@H](CO)c2ccccc2)cc1C[NH+]1CCCCC1 ZINC000183081056 822422213 /nfs/dbraw/zinc/42/22/13/822422213.db2.gz ULHXEUKICCRSDQ-XXBNENTESA-N 2 0 382.548 4.108 20 0 GIADRP C[C@@H]([NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183100662 822424510 /nfs/dbraw/zinc/42/45/10/822424510.db2.gz JEDABQCFPNBFPZ-QUCCMNQESA-N 2 0 393.616 4.266 20 0 GIADRP CC(=O)Nc1ccc(CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000183137633 822429332 /nfs/dbraw/zinc/42/93/32/822429332.db2.gz NBJUZUHOLGVOBS-ZKMPZPQNSA-N 2 0 391.559 4.078 20 0 GIADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]Cc2ccc([S@](C)=O)cc2)ccc1OC ZINC000183320789 822458673 /nfs/dbraw/zinc/45/86/73/822458673.db2.gz JNMGUYFEZDGJFQ-SOKVYYICSA-N 2 0 388.577 4.125 20 0 GIADRP Cc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c(C)s1 ZINC000179371546 822472684 /nfs/dbraw/zinc/47/26/84/822472684.db2.gz ZYHVPHFRPLYOPO-MSOLQXFVSA-N 2 0 399.604 4.185 20 0 GIADRP Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000179393295 822476281 /nfs/dbraw/zinc/47/62/81/822476281.db2.gz DGXZCQDPIZKVNW-GOSISDBHSA-N 2 0 398.526 4.095 20 0 GIADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Br)s1 ZINC000179470181 822487214 /nfs/dbraw/zinc/48/72/14/822487214.db2.gz JXGSTUDFWQIKAS-CYBMUJFWSA-N 2 0 380.355 4.473 20 0 GIADRP C[C@@H](C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1nc(-c2ccccc2)no1 ZINC000179478352 822488317 /nfs/dbraw/zinc/48/83/17/822488317.db2.gz UTPNLIAECIPOPR-ROUUACIJSA-N 2 0 394.519 4.131 20 0 GIADRP C[C@H](C[NH2+][C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1)CN1CC[NH+](C)CC1 ZINC000180438315 822682124 /nfs/dbraw/zinc/68/21/24/822682124.db2.gz KRZYBTZPJKUZCT-VGOFRKELSA-N 2 0 389.946 4.042 20 0 GIADRP C[C@H](NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000455858218 822738225 /nfs/dbraw/zinc/73/82/25/822738225.db2.gz PBYICVMYBATVOW-AQOAWAETSA-N 2 0 384.568 4.010 20 0 GIADRP Cc1cccc2c(NCc3ccc(C[NH+]4CCC(O)CC4)cc3)c(C)c[nH+]c12 ZINC000185296682 822761446 /nfs/dbraw/zinc/76/14/46/822761446.db2.gz CYSJJHCEMCISRB-UHFFFAOYSA-N 2 0 375.516 4.420 20 0 GIADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@H](c2ccccc2)C(C)C)CC1 ZINC000052006986 822786501 /nfs/dbraw/zinc/78/65/01/822786501.db2.gz CLPPCVGIZFNCSQ-VWLOTQADSA-N 2 0 393.575 4.063 20 0 GIADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC000456253537 822790342 /nfs/dbraw/zinc/79/03/42/822790342.db2.gz BFGKHXCDYFWKMA-QHCPKHFHSA-N 2 0 391.559 4.476 20 0 GIADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc(-c3ccc(F)cc3)s2)CC1 ZINC000185888818 822830321 /nfs/dbraw/zinc/83/03/21/822830321.db2.gz SDZKMUCFYKFTLN-UHFFFAOYSA-N 2 0 375.557 4.060 20 0 GIADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2oc3ccccc3c2C[NH+](C)C)c1 ZINC000174767828 822834518 /nfs/dbraw/zinc/83/45/18/822834518.db2.gz GUYHUZKQEOXIPB-UHFFFAOYSA-N 2 0 393.531 4.265 20 0 GIADRP COc1ccsc1[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000186154303 822856361 /nfs/dbraw/zinc/85/63/61/822856361.db2.gz YYHAHBAKXCLWND-GJZGRUSLSA-N 2 0 377.529 4.059 20 0 GIADRP C[N@H+](Cc1ccccc1NC(=O)NCc1ccc(C[NH3+])cc1)C1CCCCC1 ZINC000569223445 822894430 /nfs/dbraw/zinc/89/44/30/822894430.db2.gz XBZVCVGQZTWUOL-UHFFFAOYSA-N 2 0 380.536 4.232 20 0 GIADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(-c2ccccc2F)s1 ZINC000186587909 822918102 /nfs/dbraw/zinc/91/81/02/822918102.db2.gz DRSMYMOENUDDBT-DLBZAZTESA-N 2 0 375.557 4.231 20 0 GIADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cncc(Br)c2)C1 ZINC000186590614 822918964 /nfs/dbraw/zinc/91/89/64/822918964.db2.gz KGWSZDKHVDHTLL-MRXNPFEDSA-N 2 0 388.353 4.366 20 0 GIADRP C[NH+](C)CCOc1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1F ZINC000458305759 822981064 /nfs/dbraw/zinc/98/10/64/822981064.db2.gz BBMUTYMGZKKMQE-UHFFFAOYSA-N 2 0 399.510 4.004 20 0 GIADRP Cc1c(Br)cccc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000570176562 823012512 /nfs/dbraw/zinc/01/25/12/823012512.db2.gz SVSIJISHEUEEPS-AZUAARDMSA-N 2 0 387.321 4.103 20 0 GIADRP CCCCCNC(=O)C1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411161949 823553244 /nfs/dbraw/zinc/55/32/44/823553244.db2.gz FWLCMSNWPXSFGV-UHFFFAOYSA-N 2 0 385.596 4.191 20 0 GIADRP CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411221337 823558292 /nfs/dbraw/zinc/55/82/92/823558292.db2.gz MXBYDKJQWXGFMM-FQEVSTJZSA-N 2 0 385.596 4.045 20 0 GIADRP O=C(CC1CCCC1)NC1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411257974 823560738 /nfs/dbraw/zinc/56/07/38/823560738.db2.gz UHHDJQVCECKOJD-UHFFFAOYSA-N 2 0 397.607 4.333 20 0 GIADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000461107077 823578824 /nfs/dbraw/zinc/57/88/24/823578824.db2.gz IQTTVMMYPKNZPR-MRWXXAKJSA-N 2 0 386.580 4.245 20 0 GIADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2ccccc2-c2ccc(Cl)cc2)CC1 ZINC000411473905 823579020 /nfs/dbraw/zinc/57/90/20/823579020.db2.gz WUAAWXRKHWKSDY-QGZVFWFLSA-N 2 0 399.966 4.258 20 0 GIADRP C[C@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411514754 823583209 /nfs/dbraw/zinc/58/32/09/823583209.db2.gz GRIDNLJFPSAIIK-DOTOQJQBSA-N 2 0 388.943 4.175 20 0 GIADRP C[C@H]([NH2+]CCC(=O)Nc1cccc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411517679 823583653 /nfs/dbraw/zinc/58/36/53/823583653.db2.gz NHTFBZJIKQFXOP-AZUAARDMSA-N 2 0 379.548 4.411 20 0 GIADRP CN1CC[C@@H](C[N@H+](C)Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@H]1c1cccnc1 ZINC000411580271 823589209 /nfs/dbraw/zinc/58/92/09/823589209.db2.gz FZCQLEMVKVJODX-DQEYMECFSA-N 2 0 392.591 4.192 20 0 GIADRP Cc1noc(C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)c2ccccc2)n1 ZINC000411634197 823592633 /nfs/dbraw/zinc/59/26/33/823592633.db2.gz KWVYUDHITPUYNH-HSZRJFAPSA-N 2 0 390.531 4.438 20 0 GIADRP COc1ccc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)cc1Br ZINC000061556881 823603639 /nfs/dbraw/zinc/60/36/39/823603639.db2.gz VNZCXYXFEKCFQG-UHFFFAOYSA-N 2 0 377.326 4.069 20 0 GIADRP COc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c(F)c1 ZINC000124579954 823608215 /nfs/dbraw/zinc/60/82/15/823608215.db2.gz HRPXGDZEFRKCCJ-KURKYZTESA-N 2 0 386.511 4.294 20 0 GIADRP Cc1nc2c(s1)[C@H]([NH2+]Cc1ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc1)CCC2 ZINC000124633060 823612955 /nfs/dbraw/zinc/61/29/55/823612955.db2.gz MTPURZHOVGMUIY-JXXFODFXSA-N 2 0 385.577 4.228 20 0 GIADRP C[C@H](NC(=O)c1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000412254856 823640391 /nfs/dbraw/zinc/64/03/91/823640391.db2.gz YSMLVUJTCLVOEU-UGKGYDQZSA-N 2 0 383.580 4.055 20 0 GIADRP C[NH+](C)[C@H]1CCOc2c(NC(=O)c3cccc(C[NH+]4CCCCC4)c3)cccc21 ZINC000412309451 823645217 /nfs/dbraw/zinc/64/52/17/823645217.db2.gz SCUPCDQWKIRTQN-QFIPXVFZSA-N 2 0 393.531 4.310 20 0 GIADRP O=C(c1ccco1)N1CCC([NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000125125705 823653487 /nfs/dbraw/zinc/65/34/87/823653487.db2.gz OEAKTBUSTCGEPK-UHFFFAOYSA-N 2 0 395.547 4.050 20 0 GIADRP Cc1c([C@H](C)[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cnn1C(C)(C)C ZINC000191146778 823653683 /nfs/dbraw/zinc/65/36/83/823653683.db2.gz HBAPRTKXIGCIDW-QRVBRYPASA-N 2 0 398.595 4.407 20 0 GIADRP Cc1c([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1C(C)(C)C ZINC000191224126 823660668 /nfs/dbraw/zinc/66/06/68/823660668.db2.gz SSACIBHJHGAAGI-OTWHNJEPSA-N 2 0 398.595 4.407 20 0 GIADRP c1csc(C[NH+]2CCC(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)CC2)c1 ZINC000125446862 823676855 /nfs/dbraw/zinc/67/68/55/823676855.db2.gz HMNVUGBAHOVAMI-UHFFFAOYSA-N 3 0 375.626 4.347 20 0 GIADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1cccc(N2CCCC2=O)c1 ZINC000125485312 823680067 /nfs/dbraw/zinc/68/00/67/823680067.db2.gz RSRDPIUTUIBWQJ-GOSISDBHSA-N 2 0 397.588 4.438 20 0 GIADRP CCSc1ccccc1[C@@H](C)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000163512509 823717407 /nfs/dbraw/zinc/71/74/07/823717407.db2.gz HNCLADKANRQOMQ-QGZVFWFLSA-N 2 0 391.625 4.076 20 0 GIADRP CC(C)C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1cccs1 ZINC000163527318 823718421 /nfs/dbraw/zinc/71/84/21/823718421.db2.gz HCLHLUTZDBYJOB-GOSISDBHSA-N 2 0 379.614 4.052 20 0 GIADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)cc1 ZINC000163559905 823721507 /nfs/dbraw/zinc/72/15/07/823721507.db2.gz MDIMOBUFOXABDO-GOSISDBHSA-N 2 0 381.520 4.336 20 0 GIADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000125952075 823751784 /nfs/dbraw/zinc/75/17/84/823751784.db2.gz LNCJHDMYEDYFPJ-KSSFIOAISA-N 2 0 383.964 4.022 20 0 GIADRP CCCOc1ccccc1Oc1ncccc1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000163924606 823761725 /nfs/dbraw/zinc/76/17/25/823761725.db2.gz RVEBXWRCRYVDQF-SFHVURJKSA-N 2 0 383.536 4.483 20 0 GIADRP C[C@@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)[C@@H](C)c1ccccc1 ZINC000163943785 823763860 /nfs/dbraw/zinc/76/38/60/823763860.db2.gz YGUHIURFYOOCSE-NHCUHLMSSA-N 2 0 396.575 4.458 20 0 GIADRP Cc1ccsc1[C@H](C)[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000163958576 823766280 /nfs/dbraw/zinc/76/62/80/823766280.db2.gz CCLPPXMTZDLADH-SFHVURJKSA-N 2 0 388.577 4.397 20 0 GIADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C2(c3ccccc3)CC[NH2+]CC2)cc1 ZINC000164567881 823808870 /nfs/dbraw/zinc/80/88/70/823808870.db2.gz SCQBVQJUJKHYHJ-FQEVSTJZSA-N 2 0 391.559 4.321 20 0 GIADRP Cc1ccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c(-c2cnn(C)c2)c1 ZINC000574773488 823822914 /nfs/dbraw/zinc/82/29/14/823822914.db2.gz JGIJJNDLEMIQKO-JOCHJYFZSA-N 2 0 388.559 4.349 20 0 GIADRP COc1ccc([C@H](C[NH+](C)C)N[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000574877613 823849451 /nfs/dbraw/zinc/84/94/51/823849451.db2.gz QPMFPIIMVHZEEQ-VWNXMTODSA-N 2 0 393.575 4.085 20 0 GIADRP COc1ccc([C@@H](C[NH+](C)C)N[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000574877606 823849681 /nfs/dbraw/zinc/84/96/81/823849681.db2.gz QPMFPIIMVHZEEQ-ISKFKSNPSA-N 2 0 393.575 4.085 20 0 GIADRP C[C@H]([NH2+]Cc1ccccc1-c1ccc(Cn2ccnc2)cc1)C1CC[NH+](C)CC1 ZINC000165581816 823854290 /nfs/dbraw/zinc/85/42/90/823854290.db2.gz ACVFRBQYNCVXSK-FQEVSTJZSA-N 2 0 388.559 4.418 20 0 GIADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccc(Br)c4cccnc34)C2)CC1 ZINC000575027288 823892431 /nfs/dbraw/zinc/89/24/31/823892431.db2.gz YNDYDZWBAGUASS-MRXNPFEDSA-N 2 0 388.353 4.161 20 0 GIADRP CCc1nc(C)c([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)s1 ZINC000126666875 823922683 /nfs/dbraw/zinc/92/26/83/823922683.db2.gz DGTICNVRWOSCBW-GJZGRUSLSA-N 2 0 390.572 4.317 20 0 GIADRP C[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000414176192 823923502 /nfs/dbraw/zinc/92/35/02/823923502.db2.gz HFEGIVJVMIFYMG-OXJNMPFZSA-N 2 0 383.467 4.272 20 0 GIADRP COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc1F ZINC000126691581 823928646 /nfs/dbraw/zinc/92/86/46/823928646.db2.gz FRYKGFCLRLSWKH-CVEARBPZSA-N 2 0 389.490 4.137 20 0 GIADRP Cc1nc2c(s1)[C@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)CCC2 ZINC000126735438 823938608 /nfs/dbraw/zinc/93/86/08/823938608.db2.gz SGOAEWWZMRCVMJ-RDTXWAMCSA-N 2 0 388.556 4.071 20 0 GIADRP C[C@@H](Cc1ccc(C(C)(C)C)cc1)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000575219177 823943728 /nfs/dbraw/zinc/94/37/28/823943728.db2.gz XPCBYOWUQMEJEB-JKILAOHISA-N 2 0 397.651 4.406 20 0 GIADRP COc1cccc2cc([C@H](C)[NH2+]CC3(O)CC[NH+](Cc4ccccc4)CC3)oc21 ZINC000414314423 823956416 /nfs/dbraw/zinc/95/64/16/823956416.db2.gz ZUJQBYASQSGRNQ-SFHVURJKSA-N 2 0 394.515 4.119 20 0 GIADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)[C@@H](C)C1CCCCC1 ZINC000414321175 823958098 /nfs/dbraw/zinc/95/80/98/823958098.db2.gz DSIYWJRRTFYDMU-RTBURBONSA-N 2 0 385.596 4.078 20 0 GIADRP Cc1cc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)ccc1C(F)(F)F ZINC000414344766 823961901 /nfs/dbraw/zinc/96/19/01/823961901.db2.gz ZSQCRGTUIPYIRJ-UHFFFAOYSA-N 2 0 392.465 4.260 20 0 GIADRP Cc1cc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)ccc1C(F)(F)F ZINC000414447838 823987024 /nfs/dbraw/zinc/98/70/24/823987024.db2.gz YDTQRQJCSUPNLD-UHFFFAOYSA-N 2 0 381.442 4.029 20 0 GIADRP C[N@H+](Cc1ccccc1NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)C1CCCCC1 ZINC000414716212 824026050 /nfs/dbraw/zinc/02/60/50/824026050.db2.gz RVMQKZDSJJSFQA-HSZRJFAPSA-N 2 0 384.568 4.059 20 0 GIADRP Cc1ccc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)c(-c2ccnn2C)c1 ZINC000575970676 824041852 /nfs/dbraw/zinc/04/18/52/824041852.db2.gz ISTMHPNUHYYSAC-UHFFFAOYSA-N 2 0 394.588 4.459 20 0 GIADRP CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)nc1 ZINC001164386909 718815899 /nfs/dbraw/zinc/81/58/99/718815899.db2.gz BVVVPTZPJNBEPS-PKOBYXMFSA-N 2 0 396.501 4.139 20 0 GIADRP Cc1[nH+]c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc2[nH]ccc21 ZINC001164905491 721720962 /nfs/dbraw/zinc/72/09/62/721720962.db2.gz GXTBWYSHHSKBGM-NRFANRHFSA-N 2 0 397.473 4.004 20 0 GIADRP CC(C)Oc1cc[nH+]c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165026161 721815325 /nfs/dbraw/zinc/81/53/25/721815325.db2.gz PIXMMAHZJFDBKN-NYVOZVTQSA-N 2 0 380.536 4.001 20 0 GIADRP CN(C)[C@@H](C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)c1cccc(F)c1 ZINC000570503069 823047350 /nfs/dbraw/zinc/04/73/50/823047350.db2.gz KLNWBIBHAIXKNA-VHYCJAOWSA-N 2 0 383.555 4.461 20 0 GIADRP CN(C)[C@H](C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)c1cccc(F)c1 ZINC000570503068 823047479 /nfs/dbraw/zinc/04/74/79/823047479.db2.gz KLNWBIBHAIXKNA-KXTRFFEISA-N 2 0 383.555 4.461 20 0 GIADRP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)ccc1OCC(F)(F)F ZINC000120815997 823070083 /nfs/dbraw/zinc/07/00/83/823070083.db2.gz MWQAGGXENDGEEZ-QGZVFWFLSA-N 2 0 388.474 4.094 20 0 GIADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1Cl)CN1CC[NH+](C)CC1 ZINC000120817350 823070327 /nfs/dbraw/zinc/07/03/27/823070327.db2.gz FFBWTEYFPYJGEB-STQMWFEESA-N 2 0 378.775 4.181 20 0 GIADRP C[C@@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000120823310 823071552 /nfs/dbraw/zinc/07/15/52/823071552.db2.gz VAOOFNWLFCWUSB-HYBUGGRVSA-N 2 0 381.564 4.115 20 0 GIADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(-c2ccccc2F)s1 ZINC000120874757 823080752 /nfs/dbraw/zinc/08/07/52/823080752.db2.gz VDRZHQQGAGOMFR-DLBZAZTESA-N 2 0 375.557 4.088 20 0 GIADRP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccc(OCc2nccn2C)cc1 ZINC000120877356 823081060 /nfs/dbraw/zinc/08/10/60/823081060.db2.gz RIMVVKVDPNDOSX-QGZVFWFLSA-N 2 0 396.510 4.051 20 0 GIADRP COc1ccccc1NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000056156217 823091474 /nfs/dbraw/zinc/09/14/74/823091474.db2.gz PRVIGQYALDWWEK-OALUTQOASA-N 2 0 395.547 4.186 20 0 GIADRP C[NH2+]CCC1CC[NH+](Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000570843842 823094681 /nfs/dbraw/zinc/09/46/81/823094681.db2.gz UUBYYGIOLZPTKR-UHFFFAOYSA-N 2 0 385.939 4.414 20 0 GIADRP O=[N+]([O-])c1ccc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)cc1Cl ZINC000187769453 823129350 /nfs/dbraw/zinc/12/93/50/823129350.db2.gz IHZKEXPOWAPVKM-UHFFFAOYSA-N 2 0 379.913 4.312 20 0 GIADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000121304008 823159253 /nfs/dbraw/zinc/15/92/53/823159253.db2.gz FNQBYDOXCFMXOU-UONOGXRCSA-N 2 0 376.347 4.057 20 0 GIADRP CC1CCN([C@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c2cccs2)CC1 ZINC000459363777 823172850 /nfs/dbraw/zinc/17/28/50/823172850.db2.gz IOIGXBLWNIFSDB-OAQYLSRUSA-N 2 0 384.593 4.175 20 0 GIADRP Clc1ccc(N2CC[C@@H]([NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)c(Cl)c1 ZINC000459498847 823204716 /nfs/dbraw/zinc/20/47/16/823204716.db2.gz VZUYUKHPPPTRFH-QGZVFWFLSA-N 2 0 391.346 4.226 20 0 GIADRP CCc1nc2cc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)ccc2n1C1CC1 ZINC000459542735 823216353 /nfs/dbraw/zinc/21/63/53/823216353.db2.gz LVZORCUQDVOIGT-UHFFFAOYSA-N 2 0 375.520 4.087 20 0 GIADRP Fc1ccc2c(c1Br)CC[C@H]2[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459563736 823221286 /nfs/dbraw/zinc/22/12/86/823221286.db2.gz FBDKXMWMSAWQJH-GOSISDBHSA-N 2 0 390.300 4.229 20 0 GIADRP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)on1 ZINC000571754869 823230268 /nfs/dbraw/zinc/23/02/68/823230268.db2.gz ZJVQCNVKFYUDOB-QGZVFWFLSA-N 2 0 391.515 4.467 20 0 GIADRP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057154404 823256378 /nfs/dbraw/zinc/25/63/78/823256378.db2.gz ZNQLFBAFHGXBJX-UHFFFAOYSA-N 2 0 377.532 4.133 20 0 GIADRP Cc1nc([C@@H](C)[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)oc1-c1ccc(Cl)cc1 ZINC000572001514 823267881 /nfs/dbraw/zinc/26/78/81/823267881.db2.gz XKHKGNKMFUBMDU-DJKXOVBDSA-N 2 0 389.927 4.193 20 0 GIADRP Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000057843942 823340697 /nfs/dbraw/zinc/34/06/97/823340697.db2.gz IBGGETSJTDLLEN-HXUWFJFHSA-N 2 0 379.548 4.166 20 0 GIADRP Fc1cc(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)cc(F)c1F ZINC000176983920 823342024 /nfs/dbraw/zinc/34/20/24/823342024.db2.gz JRQCVNKGGRYGNS-UHFFFAOYSA-N 2 0 392.465 4.265 20 0 GIADRP CCCC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000460352042 823361166 /nfs/dbraw/zinc/36/11/66/823361166.db2.gz UYGIHQOONBCXKM-XKCSPQBFSA-N 2 0 385.596 4.104 20 0 GIADRP Cc1ccc2cc(C[NH2+]Cc3ccccc3C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)ccc2n1 ZINC000189271039 823384203 /nfs/dbraw/zinc/38/42/03/823384203.db2.gz XCZJDUWCILYMBM-BGYRXZFFSA-N 2 0 389.543 4.442 20 0 GIADRP CSC1(C[NH2+][C@H](C)c2ccc(F)c(Br)c2)CC[NH+](C)CC1 ZINC000572686641 823382709 /nfs/dbraw/zinc/38/27/09/823382709.db2.gz VEXKFWJUCSQYKP-GFCCVEGCSA-N 2 0 375.351 4.066 20 0 GIADRP Cc1ccc2cc(C[NH2+][C@@H](C)c3cc(F)ccc3N3CC[NH+](C)CC3)ccc2n1 ZINC000189320631 823393735 /nfs/dbraw/zinc/39/37/35/823393735.db2.gz BPMUOARMKFJLMT-SFHVURJKSA-N 2 0 392.522 4.285 20 0 GIADRP CC(C)(C)OC(=O)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000177323571 823433483 /nfs/dbraw/zinc/43/34/83/823433483.db2.gz IDRFSZYTIOEUCS-FRIKZZABSA-N 2 0 399.579 4.171 20 0 GIADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1cccc(N2CCOC2=O)c1 ZINC000122994992 823445524 /nfs/dbraw/zinc/44/55/24/823445524.db2.gz LNSVZFXQNNWMON-SFHVURJKSA-N 2 0 379.504 4.090 20 0 GIADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCCN(CC(C)(C)C)C1=O ZINC000460655248 823468232 /nfs/dbraw/zinc/46/82/32/823468232.db2.gz LESHAWYNTIAUMD-QFIPXVFZSA-N 2 0 397.563 4.038 20 0 GIADRP C[C@@H]([NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000180690577 821397028 /nfs/dbraw/zinc/39/70/28/821397028.db2.gz AUVDMCACDXFINC-QRWLVFNGSA-N 2 0 396.453 4.030 20 0 GIADRP C[C@H]([NH2+]CCc1nc(-c2ccccn2)cs1)c1cccc(OCC[NH+](C)C)c1 ZINC000181008995 821590297 /nfs/dbraw/zinc/59/02/97/821590297.db2.gz ZYLMWQTVHGWKMR-KRWDZBQOSA-N 2 0 396.560 4.039 20 0 GIADRP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(Br)cc1Br ZINC000044516489 821598097 /nfs/dbraw/zinc/59/80/97/821598097.db2.gz RUHJHTSLZVPIBU-LLVKDONJSA-N 2 0 390.163 4.204 20 0 GIADRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cc2cc(Cl)ccc2o1 ZINC000181456425 821834483 /nfs/dbraw/zinc/83/44/83/821834483.db2.gz GJLFSYGZHOHGGL-OAHLLOKOSA-N 2 0 384.911 4.084 20 0 GIADRP CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000181516392 821862831 /nfs/dbraw/zinc/86/28/31/821862831.db2.gz MBJBQQRQDIDJCT-GOSISDBHSA-N 2 0 392.547 4.301 20 0 GIADRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cc2cc(Cl)ccc2o1 ZINC000181516371 821862898 /nfs/dbraw/zinc/86/28/98/821862898.db2.gz KJMYNMAIDKJINC-OAHLLOKOSA-N 2 0 384.911 4.084 20 0 GIADRP CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000181930596 822038693 /nfs/dbraw/zinc/03/86/93/822038693.db2.gz MYKRPGMOSHQRPG-FHWLQOOXSA-N 2 0 395.547 4.105 20 0 GIADRP COc1ccc([C@H](C)[NH2+]Cc2ccc(NC(C)=O)cc2)cc1C[NH+]1CCCCC1 ZINC000182259529 822173917 /nfs/dbraw/zinc/17/39/17/822173917.db2.gz ZQHQDFKAOVPWKJ-SFHVURJKSA-N 2 0 395.547 4.490 20 0 GIADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccccc1C(F)(F)F ZINC000182263560 822176787 /nfs/dbraw/zinc/17/67/87/822176787.db2.gz OMYZGZXTYHIIQX-QAPCUYQASA-N 2 0 378.438 4.123 20 0 GIADRP CCOc1cccc2cc([C@H](C)[NH2+]Cc3ccccc3C[N@@H+]3CC[C@H](O)C3)oc21 ZINC000182267780 822179116 /nfs/dbraw/zinc/17/91/16/822179116.db2.gz RGWGQOCZODUGOA-UWJYYQICSA-N 2 0 394.515 4.249 20 0 GIADRP Cc1cc([C@@H](C)[NH2+]CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c(C)s1 ZINC000182763423 822363872 /nfs/dbraw/zinc/36/38/72/822363872.db2.gz WEGKJKFZZCMZBW-GOSISDBHSA-N 2 0 399.604 4.105 20 0 GIADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cc(F)cc3c2OCOC3)CC1 ZINC000178391619 822374586 /nfs/dbraw/zinc/37/45/86/822374586.db2.gz OKBFJAFWNOYOOV-KRWDZBQOSA-N 2 0 376.516 4.169 20 0 GIADRP C[N@H+](CCCC[NH2+]Cc1cc(Br)ccc1OC(F)F)C1CC1 ZINC000453608005 822392141 /nfs/dbraw/zinc/39/21/41/822392141.db2.gz YIXYLHJTMOVVEA-UHFFFAOYSA-N 2 0 377.273 4.015 20 0 GIADRP COc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)c2cccs2)cc1C[NH+]1CCCCC1 ZINC000183006570 822410071 /nfs/dbraw/zinc/41/00/71/822410071.db2.gz OHJNGXMSNFPMNH-VGOFRKELSA-N 2 0 388.577 4.301 20 0 GIADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)ccc1OC ZINC000183011066 822410884 /nfs/dbraw/zinc/41/08/84/822410884.db2.gz TVUIKSWMRYTVOZ-IIBYNOLFSA-N 2 0 376.566 4.157 20 0 GIADRP COc1ccc([C@H]([NH2+]CC2CC[NH2+]CC2)c2ccccc2)cc1Br ZINC000178977697 822425805 /nfs/dbraw/zinc/42/58/05/822425805.db2.gz GRVAWCQMYVFYKV-HXUWFJFHSA-N 2 0 389.337 4.136 20 0 GIADRP CC(C)c1noc(CCC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000183137009 822429320 /nfs/dbraw/zinc/42/93/20/822429320.db2.gz LKDNXHJQGJJEGL-PCCBWWKXSA-N 2 0 382.552 4.016 20 0 GIADRP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(OCc2nccn2C)cc1 ZINC000183191139 822438592 /nfs/dbraw/zinc/43/85/92/822438592.db2.gz GDXWTIORQFIZDL-SVFBPWRDSA-N 2 0 396.579 4.303 20 0 GIADRP C[NH+](Cc1ccccc1NC(=O)NCCCC[N@@H+](C)C1CC1)C1CCCCC1 ZINC000454235126 822441858 /nfs/dbraw/zinc/44/18/58/822441858.db2.gz ZTFGLLOPJFUZAN-UHFFFAOYSA-N 2 0 386.584 4.447 20 0 GIADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H]2CCO[C@]3(CCSC3)C2)ccc1OC ZINC000183355024 822462853 /nfs/dbraw/zinc/46/28/53/822462853.db2.gz ZGCWNOPEGHEXJD-RBDMOPTHSA-N 2 0 392.609 4.242 20 0 GIADRP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179388523 822475592 /nfs/dbraw/zinc/47/55/92/822475592.db2.gz RWGDNULKCKVYOW-SFHVURJKSA-N 2 0 391.519 4.431 20 0 GIADRP Cc1nc2ccccc2nc1C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179390706 822475857 /nfs/dbraw/zinc/47/58/57/822475857.db2.gz UJGWELXUPVEJAC-UHFFFAOYSA-N 2 0 375.520 4.072 20 0 GIADRP CCn1c(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)nc2c1cccc2F ZINC000179392082 822476027 /nfs/dbraw/zinc/47/60/27/822476027.db2.gz QTXJOLPIULDMAW-UHFFFAOYSA-N 2 0 395.526 4.329 20 0 GIADRP CCc1ccccc1NC(=O)[C@@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179397061 822476807 /nfs/dbraw/zinc/47/68/07/822476807.db2.gz ZHAGUGAOKXOWHK-LJQANCHMSA-N 2 0 394.563 4.210 20 0 GIADRP Cc1cc2ncc([C@H](C)[NH2+]Cc3cccc(C[NH+]4CCC(C)CC4)c3)c(C)n2n1 ZINC000179424556 822480561 /nfs/dbraw/zinc/48/05/61/822480561.db2.gz DHDGECAPEQTZTB-IBGZPJMESA-N 2 0 391.563 4.429 20 0 GIADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000183493839 822485384 /nfs/dbraw/zinc/48/53/84/822485384.db2.gz DHYRLMAFVLMTKY-HXUWFJFHSA-N 2 0 375.557 4.018 20 0 GIADRP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000179510311 822493418 /nfs/dbraw/zinc/49/34/18/822493418.db2.gz RZIBHITXJQHDSW-OAQYLSRUSA-N 2 0 383.536 4.149 20 0 GIADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000183765596 822524982 /nfs/dbraw/zinc/52/49/82/822524982.db2.gz GKXHIJXKCXHMNY-GQOXECLESA-N 2 0 384.486 4.102 20 0 GIADRP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000179756216 822544219 /nfs/dbraw/zinc/54/42/19/822544219.db2.gz UWAFQTMVWXBYJP-RDPSFJRHSA-N 2 0 378.564 4.390 20 0 GIADRP CC1(C)[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C[C@H]1c1ccccc1 ZINC000184557816 822657203 /nfs/dbraw/zinc/65/72/03/822657203.db2.gz STWFOKLBJOCSMM-BJKOFHAPSA-N 2 0 378.560 4.315 20 0 GIADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)ccc21 ZINC000455887883 822742807 /nfs/dbraw/zinc/74/28/07/822742807.db2.gz XGXGSKSGLOIRJZ-VQTJNVASSA-N 2 0 398.576 4.256 20 0 GIADRP C[C@@H]1C[C@@H](NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000455939953 822753777 /nfs/dbraw/zinc/75/37/77/822753777.db2.gz UAOZBFDLQCKKIZ-OAOOKAIFSA-N 2 0 392.547 4.020 20 0 GIADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc3ccccc3n2)CC1 ZINC000174353322 822776863 /nfs/dbraw/zinc/77/68/63/822776863.db2.gz QHNHNCVCCOBHRT-GOSISDBHSA-N 2 0 392.522 4.367 20 0 GIADRP CC[NH+](CC)Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)o1 ZINC000052528026 822802865 /nfs/dbraw/zinc/80/28/65/822802865.db2.gz SWDQTBVBJUMCGU-UHFFFAOYSA-N 2 0 383.536 4.037 20 0 GIADRP C[C@H]([NH2+]Cc1ccc(SC(=O)N(C)C)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185683103 822809712 /nfs/dbraw/zinc/80/97/12/822809712.db2.gz ABOOBTFWYLWHLB-FUHWJXTLSA-N 2 0 375.582 4.203 20 0 GIADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000185865009 822828324 /nfs/dbraw/zinc/82/83/24/822828324.db2.gz ZTMFIMMXXBWYRJ-MRXNPFEDSA-N 2 0 395.469 4.081 20 0 GIADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)c2sccc2OC)CC1 ZINC000186154490 822856393 /nfs/dbraw/zinc/85/63/93/822856393.db2.gz RNKKMNXJVSUIOL-HZPDHXFCSA-N 2 0 391.556 4.450 20 0 GIADRP CC(CC[NH+]1CC[C@H](c2cccnc2)C1)CC[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000569336969 822908853 /nfs/dbraw/zinc/90/88/53/822908853.db2.gz VLOASOAQWKBGOA-ZEQRLZLVSA-N 2 0 378.564 4.172 20 0 GIADRP [NH3+][C@@H](CCC(=O)Nc1ccccc1CN1CCSCC1)CC1CCCCC1 ZINC000569728250 822959620 /nfs/dbraw/zinc/95/96/20/822959620.db2.gz RNPUJWJFYIWMFW-FQEVSTJZSA-N 2 0 389.609 4.252 20 0 GIADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)c3ccc([C@H](C)[NH3+])cc3)ccc21 ZINC000569807676 822971759 /nfs/dbraw/zinc/97/17/59/822971759.db2.gz RCXVFVHSWJYLOL-KRWDZBQOSA-N 2 0 378.520 4.255 20 0 GIADRP O=C(Nc1ccc(F)cc1)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000570153478 823010906 /nfs/dbraw/zinc/01/09/06/823010906.db2.gz HOJPKWJSFKPVJD-BHIFYINESA-N 2 0 381.495 4.088 20 0 GIADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C[C@H]1C ZINC000411311871 823563995 /nfs/dbraw/zinc/56/39/95/823563995.db2.gz YHBHEYKNFNNOFA-QMHWCDLVSA-N 2 0 399.604 4.148 20 0 GIADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C[C@@H]1C ZINC000411311869 823564088 /nfs/dbraw/zinc/56/40/88/823564088.db2.gz YHBHEYKNFNNOFA-GREBRCKQSA-N 2 0 399.604 4.148 20 0 GIADRP COC(=O)COc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000411547485 823587370 /nfs/dbraw/zinc/58/73/70/823587370.db2.gz VKTWXYOQKNXGDO-IBGZPJMESA-N 2 0 396.531 4.075 20 0 GIADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3ccc(C(F)F)cc3)CC2)CC1 ZINC000461383629 823627166 /nfs/dbraw/zinc/62/71/66/823627166.db2.gz FCEAKJCLFFHJCH-UHFFFAOYSA-N 2 0 379.539 4.252 20 0 GIADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000125441209 823676364 /nfs/dbraw/zinc/67/63/64/823676364.db2.gz WRPSPRZZTLADOJ-GFCCVEGCSA-N 2 0 378.410 4.272 20 0 GIADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000125456857 823677716 /nfs/dbraw/zinc/67/77/16/823677716.db2.gz VTCNMVOJLJJPNH-QGZVFWFLSA-N 2 0 399.560 4.268 20 0 GIADRP c1cc(C[NH+]2CCCCC2)cc(-c2noc([C@H]3CCC[N@@H+]3C3CCOCC3)n2)c1 ZINC000125498834 823680990 /nfs/dbraw/zinc/68/09/90/823680990.db2.gz MGZJNQYUDLBNAL-OAQYLSRUSA-N 2 0 396.535 4.038 20 0 GIADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl ZINC000574362230 823708765 /nfs/dbraw/zinc/70/87/65/823708765.db2.gz NDSUJSCXBXVBKP-SFHVURJKSA-N 2 0 380.319 4.106 20 0 GIADRP COCOc1ccc(OC)cc1C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000163677863 823736052 /nfs/dbraw/zinc/73/60/52/823736052.db2.gz HDXAZZVEJVDBEM-IBGZPJMESA-N 2 0 398.547 4.200 20 0 GIADRP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000574480998 823742134 /nfs/dbraw/zinc/74/21/34/823742134.db2.gz CRYCLJOYZOUGJY-HYVNUMGLSA-N 2 0 393.984 4.409 20 0 GIADRP COc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1OCc1ccccc1 ZINC000574486446 823745030 /nfs/dbraw/zinc/74/50/30/823745030.db2.gz FXUCBGCTLNKLHP-VXKWHMMOSA-N 2 0 380.532 4.190 20 0 GIADRP C[C@@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccc(F)cc1 ZINC000163970318 823766592 /nfs/dbraw/zinc/76/65/92/823766592.db2.gz SDHOVTWWOKTSMI-GOSISDBHSA-N 2 0 386.511 4.166 20 0 GIADRP Cc1ccccc1[C@@H](C)[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000163966254 823766870 /nfs/dbraw/zinc/76/68/70/823766870.db2.gz SNLXYJVWDRSQJA-HXUWFJFHSA-N 2 0 382.548 4.335 20 0 GIADRP CC(C)[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc(F)c(F)c1 ZINC000574601801 823777041 /nfs/dbraw/zinc/77/70/41/823777041.db2.gz JSLXSJGXJXYYQK-NRFANRHFSA-N 2 0 377.479 4.177 20 0 GIADRP CCCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000461977481 823779438 /nfs/dbraw/zinc/77/94/38/823779438.db2.gz NWWKKWXQKFOXBU-QHCPKHFHSA-N 2 0 385.596 4.010 20 0 GIADRP CSC1(C[NH2+]Cc2cc(Cl)ccc2Br)CC[NH+](C)CC1 ZINC000574680159 823799322 /nfs/dbraw/zinc/79/93/22/823799322.db2.gz WIAUBOQXXGBKSV-UHFFFAOYSA-N 2 0 377.779 4.020 20 0 GIADRP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(N2CCCC2=O)c1 ZINC000165318285 823843121 /nfs/dbraw/zinc/84/31/21/823843121.db2.gz WRAOJIXADMBYJS-UNMCSNQZSA-N 2 0 391.559 4.029 20 0 GIADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000165561689 823853392 /nfs/dbraw/zinc/85/33/92/823853392.db2.gz WAUMJAWNJRGPNS-RNHFSVANSA-N 2 0 388.559 4.417 20 0 GIADRP CC[NH+](CC)[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000166324336 823875321 /nfs/dbraw/zinc/87/53/21/823875321.db2.gz RQOGNSFAOLBTKN-XUVXKRRUSA-N 2 0 383.502 4.305 20 0 GIADRP COc1ccc(C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc2)cc1OC ZINC000166470042 823878645 /nfs/dbraw/zinc/87/86/45/823878645.db2.gz ADDXALFKXKPFLU-BDTNDASRSA-N 2 0 380.532 4.204 20 0 GIADRP Clc1ccc(CN2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1Cl ZINC000166605533 823880018 /nfs/dbraw/zinc/88/00/18/823880018.db2.gz KXRMFZBJCLTMPK-QZTJIDSGSA-N 2 0 382.379 4.174 20 0 GIADRP Clc1cccc([C@@H]2CCC[C@H]([NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)C2)c1 ZINC000414079027 823903691 /nfs/dbraw/zinc/90/36/91/823903691.db2.gz BQTPIXSOWRAAPN-KPLVRAHFSA-N 2 0 376.972 4.457 20 0 GIADRP COc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c(C)c1 ZINC000414115040 823912925 /nfs/dbraw/zinc/91/29/25/823912925.db2.gz MKYUVUOJXBMABS-QZTJIDSGSA-N 2 0 385.527 4.306 20 0 GIADRP CC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000126698574 823930077 /nfs/dbraw/zinc/93/00/77/823930077.db2.gz REGKDEKBLGABJT-HTAPYJJXSA-N 2 0 385.527 4.388 20 0 GIADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3cnc(-c4ccccc4)s3)CC2)C[C@H](C)O1 ZINC000170780164 823970165 /nfs/dbraw/zinc/97/01/65/823970165.db2.gz JCAILIOUWYIOQT-ROUUACIJSA-N 2 0 385.577 4.131 20 0 GIADRP O=C(CC[NH2+]C1CC([NH+]2CCCCC2)C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000575742276 823984633 /nfs/dbraw/zinc/98/46/33/823984633.db2.gz CDONOYMEGZPYOK-UHFFFAOYSA-N 2 0 393.531 4.414 20 0 GIADRP C[N@H+](Cc1ccccc1NC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)C1CCCCC1 ZINC000414702403 824024769 /nfs/dbraw/zinc/02/47/69/824024769.db2.gz BJUZHOZKGAWISH-HXUWFJFHSA-N 2 0 398.595 4.305 20 0 GIADRP C[N@H+](Cc1ccccc1NC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)C1CCCCC1 ZINC000414714576 824025422 /nfs/dbraw/zinc/02/54/22/824025422.db2.gz QJDMPLYMSGQOIG-VQTJNVASSA-N 2 0 398.595 4.305 20 0 GIADRP CN(C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414719853 824026645 /nfs/dbraw/zinc/02/66/45/824026645.db2.gz ZXKGFDTXBUTHLA-PMSBKCLSSA-N 2 0 384.568 4.198 20 0 GIADRP C[C@H]1C[C@@H](C[NH+]2CCC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)CC[NH2+]1 ZINC000414749266 824032802 /nfs/dbraw/zinc/03/28/02/824032802.db2.gz XYPPNYWOJGWJLT-KBPBESRZSA-N 2 0 384.351 4.032 20 0 GIADRP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2cccc(Br)c2OC(F)F)cc1 ZINC000414810379 824038307 /nfs/dbraw/zinc/03/83/07/824038307.db2.gz NTALTERUNPBLKP-NSHDSACASA-N 2 0 385.252 4.360 20 0 GIADRP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000414815082 824038682 /nfs/dbraw/zinc/03/86/82/824038682.db2.gz WSLAAKHLBWNEJQ-AWEZNQCLSA-N 2 0 399.336 4.253 20 0 GIADRP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000414819845 824039588 /nfs/dbraw/zinc/03/95/88/824039588.db2.gz ZUIGHKVNKAXVPT-KGLIPLIRSA-N 2 0 395.425 4.112 20 0 GIADRP CC1(C[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)CC[NH2+]CC1 ZINC000414900788 824047479 /nfs/dbraw/zinc/04/74/79/824047479.db2.gz IZYJXPJMLCRYBY-UHFFFAOYSA-N 2 0 380.355 4.052 20 0 GIADRP CC(C)Oc1cc[nH+]c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165026167 721815529 /nfs/dbraw/zinc/81/55/29/721815529.db2.gz PIXMMAHZJFDBKN-YUXAGFNASA-N 2 0 380.536 4.001 20 0 GIADRP CC[C@@H](C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000570743954 823079724 /nfs/dbraw/zinc/07/97/24/823079724.db2.gz VCYMKDFRCDOYOS-YKSBVNFPSA-N 2 0 393.575 4.239 20 0 GIADRP Cc1ccc(OC(F)F)c(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000571184952 823145471 /nfs/dbraw/zinc/14/54/71/823145471.db2.gz OSXTZWXXUYTPTL-UHFFFAOYSA-N 2 0 390.474 4.359 20 0 GIADRP C[NH+](C)CCC1CC[NH+](Cc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000459318316 823160286 /nfs/dbraw/zinc/16/02/86/823160286.db2.gz CAYAYJNRFDUMHL-UHFFFAOYSA-N 2 0 381.568 4.224 20 0 GIADRP CCC1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000459444640 823193332 /nfs/dbraw/zinc/19/33/32/823193332.db2.gz CSRSFYLDOTVZGE-UHFFFAOYSA-N 3 0 392.591 4.332 20 0 GIADRP CCO[C@@H]1C[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)[C@H]1Sc1ccccc1 ZINC000459466031 823198344 /nfs/dbraw/zinc/19/83/44/823198344.db2.gz ONCIGRLJUZLSAU-DNVJHFABSA-N 2 0 397.588 4.226 20 0 GIADRP C[C@@H]([NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)c1cn(-c2ccccc2)nn1 ZINC000571868087 823247721 /nfs/dbraw/zinc/24/77/21/823247721.db2.gz SONWXWUGKGFGSA-JSRJAPPDSA-N 2 0 389.547 4.361 20 0 GIADRP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000571903888 823251681 /nfs/dbraw/zinc/25/16/81/823251681.db2.gz GEARAJALBMETEV-AWEZNQCLSA-N 2 0 382.335 4.050 20 0 GIADRP CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C(c1ccccc1)c1ccccc1 ZINC000571950957 823259362 /nfs/dbraw/zinc/25/93/62/823259362.db2.gz OOMBJQATDHMMHJ-UHFFFAOYSA-N 2 0 393.575 4.087 20 0 GIADRP Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)C[C@@H](c3ccccc3)[NH+](C)C)C2)s1 ZINC000572126457 823287143 /nfs/dbraw/zinc/28/71/43/823287143.db2.gz FVGGKAVCMDCHAK-KNQAVFIVSA-N 2 0 399.604 4.030 20 0 GIADRP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000057844002 823340524 /nfs/dbraw/zinc/34/05/24/823340524.db2.gz QFOHHJWJAHREIM-NRFANRHFSA-N 2 0 393.575 4.474 20 0 GIADRP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1OC(F)F ZINC000572671143 823379346 /nfs/dbraw/zinc/37/93/46/823379346.db2.gz ROXPQGCJGQDXPQ-QFBILLFUSA-N 2 0 390.474 4.297 20 0 GIADRP C[C@H]([NH2+][C@H](CCO)c1ccc(Cl)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000572671520 823379487 /nfs/dbraw/zinc/37/94/87/823379487.db2.gz IOFKNYXDFIQLFM-HRAATJIYSA-N 2 0 376.928 4.055 20 0 GIADRP Cc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2c2nc(C3([NH3+])CCC3)no2)c1 ZINC000572841317 823408005 /nfs/dbraw/zinc/40/80/05/823408005.db2.gz OHWLWBOUDQBSAL-RTWAWAEBSA-N 2 0 388.515 4.099 20 0 GIADRP c1ccc(-c2noc([C@H](c3ccccc3)[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000573091681 823446283 /nfs/dbraw/zinc/44/62/83/823446283.db2.gz LASZVGUQRZZRNB-VXKWHMMOSA-N 2 0 388.515 4.148 20 0 GIADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000122996554 823445799 /nfs/dbraw/zinc/44/57/99/823445799.db2.gz GBULGCHLTISKCO-FQEVSTJZSA-N 3 0 381.564 4.074 20 0 GIADRP COc1cc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cc(OC)c1OC ZINC000123023141 823449558 /nfs/dbraw/zinc/44/95/58/823449558.db2.gz WLSGYYHCAKHVQS-QGZVFWFLSA-N 2 0 384.520 4.159 20 0 GIADRP C[NH+](C)Cc1ccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)cc1 ZINC000026318389 820081814 /nfs/dbraw/zinc/08/18/14/820081814.db2.gz FKFSCWCHKQTBCP-UHFFFAOYSA-N 2 0 397.526 4.286 20 0 GIADRP COc1cccc([C@@H](C)[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000177400783 823453830 /nfs/dbraw/zinc/45/38/30/823453830.db2.gz LXMUMLVFYSDSKE-HXUWFJFHSA-N 2 0 382.548 4.417 20 0 GIADRP Cc1ccc(-c2noc(CCC[NH+]3CCC(CCC[NH+](C)C)CC3)n2)cc1F ZINC000123209933 823479196 /nfs/dbraw/zinc/47/91/96/823479196.db2.gz YDZIJRRKWRLHIN-UHFFFAOYSA-N 2 0 388.531 4.171 20 0 GIADRP C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177509340 823479653 /nfs/dbraw/zinc/47/96/53/823479653.db2.gz RERBDNQHSULWBI-OTWHNJEPSA-N 2 0 398.551 4.009 20 0 GIADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)CC1 ZINC000030664335 820661642 /nfs/dbraw/zinc/66/16/42/820661642.db2.gz SAPXQYNOIKQBKP-UHFFFAOYSA-N 2 0 396.362 4.369 20 0 GIADRP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1F ZINC000060377483 823521517 /nfs/dbraw/zinc/52/15/17/823521517.db2.gz IVVBUEJEHZUCSL-IBGZPJMESA-N 2 0 397.538 4.305 20 0 GIADRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(-c2cccs2)cc1 ZINC000177825949 823531598 /nfs/dbraw/zinc/53/15/98/823531598.db2.gz GYSVRZAOLFUJRQ-GOSISDBHSA-N 2 0 392.572 4.413 20 0 GIADRP c1csc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000042229105 821288602 /nfs/dbraw/zinc/28/86/02/821288602.db2.gz MIWNFUVDBNKHBQ-QGZVFWFLSA-N 2 0 378.545 4.175 20 0 GIADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(C(F)(F)F)cc1 ZINC000180640466 821378978 /nfs/dbraw/zinc/37/89/78/821378978.db2.gz KCMBSDLSABLQJB-QRWLVFNGSA-N 2 0 378.438 4.123 20 0 GIADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cccc(Cl)c1 ZINC000180975806 821567679 /nfs/dbraw/zinc/56/76/79/821567679.db2.gz LZTABYHCHNIHDA-QGZVFWFLSA-N 2 0 385.939 4.016 20 0 GIADRP COC(=O)c1oc([C@@H](C)[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC000181211483 821699618 /nfs/dbraw/zinc/69/96/18/821699618.db2.gz QZTPRLHXPYVGRV-QGZVFWFLSA-N 2 0 385.508 4.069 20 0 GIADRP COc1cccc2[nH]cc(CC[NH2+][C@@H](C)c3ccc(OCC[NH+](C)C)cc3)c21 ZINC000181334948 821766581 /nfs/dbraw/zinc/76/65/81/821766581.db2.gz SKYHSQINZLLOBM-KRWDZBQOSA-N 2 0 381.520 4.010 20 0 GIADRP CC(C)[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(Cl)cc1F ZINC000181934649 822039469 /nfs/dbraw/zinc/03/94/69/822039469.db2.gz MINPZASGMGSPKF-NRFANRHFSA-N 2 0 390.934 4.113 20 0 GIADRP CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cc(C)ccc1OC ZINC000182225078 822155586 /nfs/dbraw/zinc/15/55/86/822155586.db2.gz DIJPIXMNSGGPBE-FYYLOGMGSA-N 2 0 382.548 4.201 20 0 GIADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000182225568 822155717 /nfs/dbraw/zinc/15/57/17/822155717.db2.gz HJOYLKGJFKXUHW-NQIIRXRSSA-N 2 0 386.536 4.109 20 0 GIADRP Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)CCCO2 ZINC000182244795 822165874 /nfs/dbraw/zinc/16/58/74/822165874.db2.gz VUBHVLAGSGYZQY-VWNXMTODSA-N 2 0 394.559 4.264 20 0 GIADRP CCOC(=O)C1CCC([NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)CC1 ZINC000182421453 822236804 /nfs/dbraw/zinc/23/68/04/822236804.db2.gz JJLACYDGDKEWJH-UHFFFAOYSA-N 2 0 384.520 4.123 20 0 GIADRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000178239881 822357507 /nfs/dbraw/zinc/35/75/07/822357507.db2.gz PSCQOKNVEAPHRC-MGPUTAFESA-N 2 0 391.437 4.099 20 0 GIADRP c1csc([C@H]2C[C@H]([NH2+][C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)CCO2)c1 ZINC000453407908 822358662 /nfs/dbraw/zinc/35/86/62/822358662.db2.gz DXLINUBPSODCNR-ZSYZGHEHSA-N 2 0 382.573 4.468 20 0 GIADRP COc1ccc(C[NH2+][C@H](C)c2ccc(OC)c(C[NH+]3CCCCC3)c2)cc1O ZINC000182747493 822361680 /nfs/dbraw/zinc/36/16/80/822361680.db2.gz WZFXKVSHSCTHCY-QGZVFWFLSA-N 2 0 384.520 4.246 20 0 GIADRP c1cc(OCC[NH+]2CCCC2)ccc1CNC1CC[NH+](CC2CCCCC2)CC1 ZINC000045193079 822369454 /nfs/dbraw/zinc/36/94/54/822369454.db2.gz YUYWDSHHKDNXCY-UHFFFAOYSA-N 2 0 399.623 4.296 20 0 GIADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](O)c2cccc(OCc3ccccc3)c2)CC1 ZINC000178481255 822383939 /nfs/dbraw/zinc/38/39/39/822383939.db2.gz LQADYPRSUSXZDM-QHCPKHFHSA-N 2 0 382.548 4.152 20 0 GIADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCSc4c(F)cccc43)cc2)CC1 ZINC000178794925 822410545 /nfs/dbraw/zinc/41/05/45/822410545.db2.gz BSMXNWKOZRVBSH-OAQYLSRUSA-N 2 0 386.536 4.109 20 0 GIADRP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccc(NC(N)=O)cc1 ZINC000183141523 822430296 /nfs/dbraw/zinc/43/02/96/822430296.db2.gz FZDOQHKYTTXDTJ-RBQRNVLBSA-N 2 0 392.547 4.129 20 0 GIADRP Clc1cc(Cl)cc(CN2CCC([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000183171354 822435265 /nfs/dbraw/zinc/43/52/65/822435265.db2.gz FZWXLGQXXJTARO-VQTJNVASSA-N 2 0 382.379 4.174 20 0 GIADRP COc1ccc2cc([C@@H](C)[NH2+]Cc3ccnc(OCC[NH+](C)C)c3)ccc2c1 ZINC000179511169 822493682 /nfs/dbraw/zinc/49/36/82/822493682.db2.gz JSCKQTSEGDNDMJ-QGZVFWFLSA-N 2 0 379.504 4.035 20 0 GIADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000046671123 822501800 /nfs/dbraw/zinc/50/18/00/822501800.db2.gz WAQBVPCGNRKCJM-FQEVSTJZSA-N 2 0 385.577 4.157 20 0 GIADRP CC1CC[NH+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC000180053274 822605018 /nfs/dbraw/zinc/60/50/18/822605018.db2.gz RUUKERPJWZQAGS-IHWFROFDSA-N 2 0 379.589 4.019 20 0 GIADRP CC[C@H](C)[NH2+][C@H](CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccco1 ZINC000455836246 822734318 /nfs/dbraw/zinc/73/43/18/822734318.db2.gz AVAWOKXJQIQUSF-CWFSZBLJSA-N 2 0 384.524 4.079 20 0 GIADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCc3cccc(C[NH+]4CCCC4)c3)ccc21 ZINC000455948820 822756409 /nfs/dbraw/zinc/75/64/09/822756409.db2.gz YKIGPHCEPUKDIN-HSZRJFAPSA-N 2 0 392.547 4.153 20 0 GIADRP COc1ccc(OC)c(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)c1 ZINC000174452504 822791799 /nfs/dbraw/zinc/79/17/99/822791799.db2.gz FAGBWLJMWQICDO-UHFFFAOYSA-N 2 0 380.488 4.219 20 0 GIADRP C[C@@H]([NH2+]CCCC[NH2+][C@@H](C)[C@@H]1COc2ccccc21)[C@H]1COc2ccccc21 ZINC000185582458 822799064 /nfs/dbraw/zinc/79/90/64/822799064.db2.gz AIBCROVLSZCDRK-VVIORFSUSA-N 2 0 380.532 4.075 20 0 GIADRP C[C@@H]([NH2+]CCOc1ccccc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185768833 822819526 /nfs/dbraw/zinc/81/95/26/822819526.db2.gz QIMHUDGQHOKTOY-CVEARBPZSA-N 2 0 381.358 4.071 20 0 GIADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cc(Br)ccc1O ZINC000185869539 822828768 /nfs/dbraw/zinc/82/87/68/822828768.db2.gz FAFSBEDQSSCQEU-AWEZNQCLSA-N 2 0 390.325 4.117 20 0 GIADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000569174510 822888878 /nfs/dbraw/zinc/88/88/78/822888878.db2.gz NBNVPLLXAVILOB-KRWDZBQOSA-N 2 0 387.518 4.308 20 0 GIADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000186564327 822914044 /nfs/dbraw/zinc/91/40/44/822914044.db2.gz OILDWWJIHNWYGN-OCCSQVGLSA-N 2 0 376.397 4.048 20 0 GIADRP CC[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccc2cc(OC)ccc2c1 ZINC000569499915 822930502 /nfs/dbraw/zinc/93/05/02/822930502.db2.gz OPMJWPHAQQIGOJ-HSZRJFAPSA-N 2 0 393.531 4.425 20 0 GIADRP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000569928284 822986874 /nfs/dbraw/zinc/98/68/74/822986874.db2.gz AHBODLRVVJNTRQ-KBMXLJTQSA-N 2 0 394.441 4.138 20 0 GIADRP C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3cccc(C[NH+]4CCCCC4)c3)CC2)C1 ZINC000411174829 823554598 /nfs/dbraw/zinc/55/45/98/823554598.db2.gz PKQDXGVIBXKANB-OAQYLSRUSA-N 2 0 397.607 4.143 20 0 GIADRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](c3ccccc3)c3ccc(Cl)cc3)C2)CC1 ZINC000411248283 823560362 /nfs/dbraw/zinc/56/03/62/823560362.db2.gz ATHWVXUHVXUKAX-XZOQPEGZSA-N 2 0 383.967 4.141 20 0 GIADRP CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411262500 823560871 /nfs/dbraw/zinc/56/08/71/823560871.db2.gz HQTKFEQSTCATCX-QFIPXVFZSA-N 2 0 385.596 4.047 20 0 GIADRP COc1cccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000124146492 823571767 /nfs/dbraw/zinc/57/17/67/823571767.db2.gz GBECRIYIDPLKQL-QHCPKHFHSA-N 2 0 395.547 4.039 20 0 GIADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2ccc(Br)cc2)cc1 ZINC000061051785 823575502 /nfs/dbraw/zinc/57/55/02/823575502.db2.gz ZSPZNJXPSUTXTB-UHFFFAOYSA-N 2 0 391.353 4.460 20 0 GIADRP CCC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC000411450776 823576067 /nfs/dbraw/zinc/57/60/67/823576067.db2.gz GNZJJILEQARWOD-LJQANCHMSA-N 2 0 399.501 4.125 20 0 GIADRP CC[C@@H](C)[C@@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1ccc(Cl)cc1 ZINC000411469074 823578504 /nfs/dbraw/zinc/57/85/04/823578504.db2.gz FMDOTQPCUUNTBI-IIBYNOLFSA-N 2 0 379.976 4.006 20 0 GIADRP C[C@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411514427 823583168 /nfs/dbraw/zinc/58/31/68/823583168.db2.gz GBQQNKZWTJPOLB-RDJZCZTQSA-N 2 0 388.943 4.175 20 0 GIADRP C[C@@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411514428 823583289 /nfs/dbraw/zinc/58/32/89/823583289.db2.gz GBQQNKZWTJPOLB-WBVHZDCISA-N 2 0 388.943 4.175 20 0 GIADRP CSc1ccccc1NC(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000411547337 823587380 /nfs/dbraw/zinc/58/73/80/823587380.db2.gz BZCRUXBCZVNLEX-ICSRJNTNSA-N 2 0 397.588 4.237 20 0 GIADRP Cc1nc(-c2cc([C@@H](C)[NH2+]CC3CC[NH+](CCN(C)C)CC3)cs2)cs1 ZINC000124436605 823596659 /nfs/dbraw/zinc/59/66/59/823596659.db2.gz JVQJBWAKNHCYHM-OAHLLOKOSA-N 2 0 392.638 4.104 20 0 GIADRP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000124493814 823601211 /nfs/dbraw/zinc/60/12/11/823601211.db2.gz YLWALPXMYUNZAC-KRWDZBQOSA-N 2 0 386.609 4.043 20 0 GIADRP COc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1F ZINC000124597887 823609781 /nfs/dbraw/zinc/60/97/81/823609781.db2.gz DBPUWYTWSKYCFT-KURKYZTESA-N 2 0 386.511 4.294 20 0 GIADRP CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000061735343 823610281 /nfs/dbraw/zinc/61/02/81/823610281.db2.gz IFGWXISIZSNZBM-OAQYLSRUSA-N 2 0 385.596 4.012 20 0 GIADRP CCc1nc2c(s1)[C@H]([NH2+]Cc1ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc1)CCC2 ZINC000124615085 823611310 /nfs/dbraw/zinc/61/13/10/823611310.db2.gz BZCFOZBEYUYDJB-MBOZVWFJSA-N 2 0 399.604 4.482 20 0 GIADRP CCc1nc2c(s1)[C@H]([NH2+]Cc1ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc1)CCC2 ZINC000124614773 823611322 /nfs/dbraw/zinc/61/13/22/823611322.db2.gz BZCFOZBEYUYDJB-FUHIMQAGSA-N 2 0 399.604 4.482 20 0 GIADRP Cc1csc(N2CCC([NH2+]C3[C@@H](C)C[NH+](Cc4ccccc4)C[C@@H]3C)CC2)n1 ZINC000124696945 823618415 /nfs/dbraw/zinc/61/84/15/823618415.db2.gz UOTNBNMPAIHEQN-ROUUACIJSA-N 2 0 398.620 4.167 20 0 GIADRP COc1cc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)c2ccccc2n1 ZINC000124803753 823627374 /nfs/dbraw/zinc/62/73/74/823627374.db2.gz CCOULCIZFMTEDH-QGZVFWFLSA-N 2 0 379.504 4.035 20 0 GIADRP COc1cc(OC)cc(Oc2ccc(C[NH2+]C[C@@H]3CC[N@@H+](C(C)C)C3)cc2)c1 ZINC000062426868 823635253 /nfs/dbraw/zinc/63/52/53/823635253.db2.gz RSOZGCUKIJYZFT-IBGZPJMESA-N 2 0 384.520 4.316 20 0 GIADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cnn(C(C)C)c3C)CC2)cc1 ZINC000191238287 823662190 /nfs/dbraw/zinc/66/21/90/823662190.db2.gz KCTFIYHCTXQCAY-SFHVURJKSA-N 2 0 384.568 4.344 20 0 GIADRP COCCOc1ccc([C@H](C)[NH2+]CC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000125466534 823678339 /nfs/dbraw/zinc/67/83/39/823678339.db2.gz KRHYNHTWJIWGHD-SFHVURJKSA-N 2 0 388.577 4.336 20 0 GIADRP O[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000125572919 823686438 /nfs/dbraw/zinc/68/64/38/823686438.db2.gz YIPIHUJZVUDDDK-LJQANCHMSA-N 2 0 386.458 4.005 20 0 GIADRP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000063745361 823693100 /nfs/dbraw/zinc/69/31/00/823693100.db2.gz HSIHELGJZZRMSM-UHFFFAOYSA-N 2 0 397.607 4.013 20 0 GIADRP CC(C)C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1cccs1 ZINC000163527206 823718361 /nfs/dbraw/zinc/71/83/61/823718361.db2.gz HCLHLUTZDBYJOB-SFHVURJKSA-N 2 0 379.614 4.052 20 0 GIADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)CC(=O)Nc2cccnc2Cl)c1 ZINC000163539256 823718859 /nfs/dbraw/zinc/71/88/59/823718859.db2.gz KSTHDPPBVDIXQO-MRXNPFEDSA-N 2 0 388.943 4.084 20 0 GIADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)cc1 ZINC000163559404 823721430 /nfs/dbraw/zinc/72/14/30/823721430.db2.gz HGRPIKLQBIFINF-INIZCTEOSA-N 2 0 388.943 4.084 20 0 GIADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)cc1 ZINC000163559794 823721439 /nfs/dbraw/zinc/72/14/39/823721439.db2.gz MDIMOBUFOXABDO-SFHVURJKSA-N 2 0 381.520 4.336 20 0 GIADRP COc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1OCc1ccccc1 ZINC000574486447 823744984 /nfs/dbraw/zinc/74/49/84/823744984.db2.gz FXUCBGCTLNKLHP-YADHBBJMSA-N 2 0 380.532 4.190 20 0 GIADRP C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000574519325 823754018 /nfs/dbraw/zinc/75/40/18/823754018.db2.gz OGOXYZFIWGLPPJ-QUCCMNQESA-N 2 0 393.531 4.127 20 0 GIADRP C[N@H+](CCOc1cccc(C[NH2+][C@H]2CCc3cc(F)ccc32)c1)C1CCOCC1 ZINC000163934029 823762764 /nfs/dbraw/zinc/76/27/64/823762764.db2.gz NAPABHOVLWDWRE-DEOSSOPVSA-N 2 0 398.522 4.092 20 0 GIADRP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000126016383 823766867 /nfs/dbraw/zinc/76/68/67/823766867.db2.gz CWCFIWSJPCPCCC-LAUBAEHRSA-N 2 0 394.625 4.420 20 0 GIADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000126166026 823803625 /nfs/dbraw/zinc/80/36/25/823803625.db2.gz SOPKWAZXWQGHNC-HNNXBMFYSA-N 2 0 393.453 4.274 20 0 GIADRP C[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)c1ccc([S@@](C)=O)cc1 ZINC000164511452 823806157 /nfs/dbraw/zinc/80/61/57/823806157.db2.gz LCLSWEDADCKMAR-WRHNGFHOSA-N 2 0 396.556 4.500 20 0 GIADRP C[C@@H]([NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000126208259 823812203 /nfs/dbraw/zinc/81/22/03/823812203.db2.gz PYSKAEDSLOHSJR-MSOLQXFVSA-N 2 0 399.966 4.160 20 0 GIADRP CC[NH+]1CCC(NC[C@H]2CCC[N@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000462113587 823832062 /nfs/dbraw/zinc/83/20/62/823832062.db2.gz TXZJOQITIGZSBF-XLIONFOSSA-N 2 0 383.502 4.162 20 0 GIADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H](CCc2ccccc2)Cc2ccccc2)CC1 ZINC000462119855 823834797 /nfs/dbraw/zinc/83/47/97/823834797.db2.gz YZAZOIAXFXSLOU-DEOSSOPVSA-N 2 0 380.576 4.055 20 0 GIADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H](CCc2ccccc2)Cc2ccccc2)CC1 ZINC000462119857 823835260 /nfs/dbraw/zinc/83/52/60/823835260.db2.gz YZAZOIAXFXSLOU-XMMPIXPASA-N 2 0 380.576 4.055 20 0 GIADRP COc1cc(C)c([C@H](C)[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1OC ZINC000165297347 823842719 /nfs/dbraw/zinc/84/27/19/823842719.db2.gz KXPAZUWKPQIKQG-PZJWPPBQSA-N 2 0 382.548 4.227 20 0 GIADRP C[C@@H](C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000413845584 823850014 /nfs/dbraw/zinc/85/00/14/823850014.db2.gz PCQAKEFEVXEZMD-OAGGEKHMSA-N 2 0 393.959 4.013 20 0 GIADRP C[NH+](C)CCOc1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c(F)c1 ZINC000413898809 823862403 /nfs/dbraw/zinc/86/24/03/823862403.db2.gz HEVZZZPFULVKNE-UHFFFAOYSA-N 2 0 399.510 4.004 20 0 GIADRP c1cc2c(s1)CCN([C@@H](C[NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)c1ccccc1)C2 ZINC000166172208 823871266 /nfs/dbraw/zinc/87/12/66/823871266.db2.gz VZYBKSMJNMVHHY-VSKRKVRLSA-N 2 0 381.589 4.064 20 0 GIADRP c1cnn(Cc2ccc(-c3ccccc3C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)c1 ZINC000166466693 823878057 /nfs/dbraw/zinc/87/80/57/823878057.db2.gz WELITOZONCIFDQ-DNQXCXABSA-N 2 0 386.543 4.315 20 0 GIADRP CSCc1cc(F)ccc1C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000167106643 823886538 /nfs/dbraw/zinc/88/65/38/823886538.db2.gz DIBRCQHRKIMKPP-MRXNPFEDSA-N 2 0 376.541 4.480 20 0 GIADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC000126509795 823887665 /nfs/dbraw/zinc/88/76/65/823887665.db2.gz DVNPKPCDBXUZEM-WZYMTQMTSA-N 2 0 383.458 4.027 20 0 GIADRP C[C@H]([NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C1CC[NH+](C)CC1 ZINC000167905436 823898366 /nfs/dbraw/zinc/89/83/66/823898366.db2.gz KQHFHCFINDGSFU-HNNXBMFYSA-N 2 0 384.395 4.278 20 0 GIADRP Clc1ccc([C@@H]2CCC[C@@H]([NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)C2)cc1 ZINC000414081597 823904525 /nfs/dbraw/zinc/90/45/25/823904525.db2.gz FEBSMFCWTDVECE-LRXVAGHRSA-N 2 0 376.972 4.457 20 0 GIADRP C[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1ccc(OC(F)F)cc1OC(F)F ZINC000414145203 823918206 /nfs/dbraw/zinc/91/82/06/823918206.db2.gz APCCFIQBBBZZKJ-LLVKDONJSA-N 2 0 383.345 4.388 20 0 GIADRP CCc1nc(C)c([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)s1 ZINC000126666626 823922611 /nfs/dbraw/zinc/92/26/11/823922611.db2.gz DGTICNVRWOSCBW-LSDHHAIUSA-N 2 0 390.572 4.317 20 0 GIADRP C[C@@H]([NH2+][C@@H]1CCSc2ccccc21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000126688820 823927354 /nfs/dbraw/zinc/92/73/54/823927354.db2.gz KDLCBXYIOVSOTJ-OXQOHEQNSA-N 2 0 385.552 4.465 20 0 GIADRP COc1cc([C@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)ccc1SC ZINC000126723067 823935998 /nfs/dbraw/zinc/93/59/98/823935998.db2.gz OYXKGIAHISRGJJ-SFHVURJKSA-N 2 0 399.604 4.015 20 0 GIADRP CCn1cc([C@@H]2OCC[C@H]2C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)cn1 ZINC000414252833 823941718 /nfs/dbraw/zinc/94/17/18/823941718.db2.gz SXIASJOJDJOFAV-XTKMRXRUSA-N 2 0 396.579 4.013 20 0 GIADRP CN(c1ccccc1C[N@@H+](Cc1ccc(O)cc1)CC1CC1)C1CC[NH+](C)CC1 ZINC000575218860 823942804 /nfs/dbraw/zinc/94/28/04/823942804.db2.gz MIZAYNIWAWGADK-UHFFFAOYSA-N 2 0 393.575 4.335 20 0 GIADRP C[C@H]([NH2+]C[C@H]1CCCN(Cc2cccs2)C1)c1ccc(N2CCOC2=O)cc1 ZINC000126791305 823952089 /nfs/dbraw/zinc/95/20/89/823952089.db2.gz ZSIBZASLDKMAAW-ZWKOTPCHSA-N 2 0 399.560 4.268 20 0 GIADRP CCCC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccccc1 ZINC000414326071 823958761 /nfs/dbraw/zinc/95/87/61/823958761.db2.gz NEOVGLAEWZOQOQ-XMMPIXPASA-N 2 0 393.575 4.405 20 0 GIADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1cccc(C2CC2)c1 ZINC000414339786 823961254 /nfs/dbraw/zinc/96/12/54/823961254.db2.gz MAAHSRCUIFOFKD-GOSISDBHSA-N 2 0 391.559 4.112 20 0 GIADRP Cc1ccc(C[N@@H+]2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000414453944 823988062 /nfs/dbraw/zinc/98/80/62/823988062.db2.gz CGCDQBHGRLRIDG-DEOSSOPVSA-N 2 0 378.564 4.442 20 0 GIADRP C[N@H+](Cc1ccccc1NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)C1CCCCC1 ZINC000414703008 824025140 /nfs/dbraw/zinc/02/51/40/824025140.db2.gz BSEHXDLGIBGOMM-DZFGPLHGSA-N 2 0 384.568 4.042 20 0 GIADRP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414841370 824040794 /nfs/dbraw/zinc/04/07/94/824040794.db2.gz NTGDGELMGFBHHK-OLZOCXBDSA-N 2 0 391.865 4.055 20 0 GIADRP FC(F)(F)c1cccc(CCCC[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000192630229 824050243 /nfs/dbraw/zinc/05/02/43/824050243.db2.gz YKZGOCNXKJBTAS-SFHVURJKSA-N 2 0 384.486 4.119 20 0 GIADRP Cc1ccc(C[NH+]2CCC3(CCN(c4ncc(C)cc4C[NH3+])CC3)CC2)cc1 ZINC001164760654 721045273 /nfs/dbraw/zinc/04/52/73/721045273.db2.gz ZTXMALPNVWKMTL-UHFFFAOYSA-N 2 0 378.564 4.040 20 0 GIADRP Cc1cc2[nH]ccc2c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)[nH+]1 ZINC001164791363 721496617 /nfs/dbraw/zinc/49/66/17/721496617.db2.gz BRAZOBVVZLFMDF-UHFFFAOYSA-N 2 0 375.520 4.147 20 0 GIADRP COc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(-c2ccccc2)cc1OC ZINC000570515642 823048722 /nfs/dbraw/zinc/04/87/22/823048722.db2.gz MEXZRRDKKAHFTK-UXHICEINSA-N 2 0 380.532 4.192 20 0 GIADRP C[C@@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000120796907 823066152 /nfs/dbraw/zinc/06/61/52/823066152.db2.gz HYUCLYSAYKQMEL-YKSBVNFPSA-N 2 0 381.564 4.115 20 0 GIADRP C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1Cl)CN1CC[NH+](C)CC1 ZINC000120817501 823070374 /nfs/dbraw/zinc/07/03/74/823070374.db2.gz FFBWTEYFPYJGEB-OLZOCXBDSA-N 2 0 378.775 4.181 20 0 GIADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1Cl ZINC000120817645 823070425 /nfs/dbraw/zinc/07/04/25/823070425.db2.gz FFBWTEYFPYJGEB-QWHCGFSZSA-N 2 0 378.775 4.181 20 0 GIADRP C[C@H](C[NH2+][C@H](C)c1ccc(-c2ccccc2F)s1)CN1CC[NH+](C)CC1 ZINC000120874905 823080708 /nfs/dbraw/zinc/08/07/08/823080708.db2.gz VDRZHQQGAGOMFR-IAGOWNOFSA-N 2 0 375.557 4.088 20 0 GIADRP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000121089730 823116363 /nfs/dbraw/zinc/11/63/63/823116363.db2.gz AFIWMXQYOALKAT-AWEZNQCLSA-N 2 0 396.373 4.019 20 0 GIADRP CN(C)[C@@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)c1cccc(F)c1 ZINC000571045964 823124559 /nfs/dbraw/zinc/12/45/59/823124559.db2.gz QTIPYAKEIKVFDV-GOTSBHOMSA-N 2 0 381.539 4.215 20 0 GIADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2csc(-c3csc(C)n3)c2)CC1 ZINC000121241344 823145808 /nfs/dbraw/zinc/14/58/08/823145808.db2.gz LICXNQOWXPVZRE-CVEARBPZSA-N 2 0 392.638 4.104 20 0 GIADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2sc(-c3ccccc3)nc2C)CC1 ZINC000121324023 823163337 /nfs/dbraw/zinc/16/33/37/823163337.db2.gz FNCXWCKRNPLLQS-ZWKOTPCHSA-N 2 0 386.609 4.043 20 0 GIADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)[C@@H](C)C1 ZINC000459376155 823176435 /nfs/dbraw/zinc/17/64/35/823176435.db2.gz NRHRXTDCZIYIIY-PGRDOPGGSA-N 2 0 381.568 4.222 20 0 GIADRP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000571427862 823181330 /nfs/dbraw/zinc/18/13/30/823181330.db2.gz PYXWPAQAQUQOID-QLBJFCOMSA-N 2 0 394.607 4.250 20 0 GIADRP c1ccc(C[NH+]2CCCCCC2)c(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000459414090 823187678 /nfs/dbraw/zinc/18/76/78/823187678.db2.gz PNIZBLYZWBUCSN-UHFFFAOYSA-N 3 0 378.564 4.216 20 0 GIADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459431446 823190720 /nfs/dbraw/zinc/19/07/20/823190720.db2.gz RDTKRCBAINXYLE-IBGZPJMESA-N 2 0 381.568 4.270 20 0 GIADRP C[C@@H](Cc1cc(Br)ccc1F)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459447048 823193992 /nfs/dbraw/zinc/19/39/92/823193992.db2.gz VQRNAZUBWKWBRZ-AWEZNQCLSA-N 2 0 392.316 4.173 20 0 GIADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cc3ccccc3n(C)c2=O)CC1 ZINC000571533568 823197294 /nfs/dbraw/zinc/19/72/94/823197294.db2.gz VWOSYRRYXXDUJW-IBGZPJMESA-N 2 0 381.564 4.015 20 0 GIADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cn(C4CCCC4)nc3-c3ccccn3)C2)CC1 ZINC000459552111 823218775 /nfs/dbraw/zinc/21/87/75/823218775.db2.gz RCKICOBJRGKESK-FQEVSTJZSA-N 2 0 393.579 4.224 20 0 GIADRP C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000121818094 823257155 /nfs/dbraw/zinc/25/71/55/823257155.db2.gz MHBFKONANBAMBD-ZWKOTPCHSA-N 2 0 395.547 4.387 20 0 GIADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000459726696 823257271 /nfs/dbraw/zinc/25/72/71/823257271.db2.gz GNAUPFYZEHAUPJ-OAHLLOKOSA-N 2 0 379.957 4.197 20 0 GIADRP Cc1cc(NCc2ccccc2N(C)C2CC[NH+](C)CC2)ccc1C[NH+](C)C ZINC000459741200 823259116 /nfs/dbraw/zinc/25/91/16/823259116.db2.gz BSXLOFXOVHYVFL-UHFFFAOYSA-N 2 0 380.580 4.199 20 0 GIADRP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1 ZINC000459746225 823259578 /nfs/dbraw/zinc/25/95/78/823259578.db2.gz ZDBPWKSDVOLWAC-GOSISDBHSA-N 2 0 384.568 4.135 20 0 GIADRP O=C(Nc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1)c1ccc(F)cc1 ZINC000572272301 823311089 /nfs/dbraw/zinc/31/10/89/823311089.db2.gz CLVUFHURZJHCGH-BHIFYINESA-N 2 0 381.495 4.088 20 0 GIADRP CC1(C)CC[C@H](C[N@@H+]2CCC[C@@]3(CCC[NH+](C[C@@H]4CCC(C)(C)O4)C3)C2)O1 ZINC000572326096 823320706 /nfs/dbraw/zinc/32/07/06/823320706.db2.gz ATNDVIGVMVKJFM-ZRCGQRJVSA-N 2 0 378.601 4.080 20 0 GIADRP C[C@H]([NH2+][C@@H]1c2ccccc2CC12CCOCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000572652856 823375949 /nfs/dbraw/zinc/37/59/49/823375949.db2.gz PSEFIOHYHXSNDG-YADARESESA-N 2 0 394.559 4.372 20 0 GIADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000023740873 818978025 /nfs/dbraw/zinc/97/80/25/818978025.db2.gz KFTKMNKBVIJHIG-DEOSSOPVSA-N 2 0 391.559 4.239 20 0 GIADRP CCC[NH+]1CCC(C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000122813035 823416678 /nfs/dbraw/zinc/41/66/78/823416678.db2.gz NEKXBDZCBUAOFC-UHFFFAOYSA-N 2 0 381.967 4.155 20 0 GIADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc(N2CCOC2=O)cc1 ZINC000123008612 823447416 /nfs/dbraw/zinc/44/74/16/823447416.db2.gz FZERTHIWKLEKKH-SFHVURJKSA-N 2 0 379.504 4.090 20 0 GIADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1cccc(N2CCCC2=O)c1 ZINC000123038145 823451762 /nfs/dbraw/zinc/45/17/62/823451762.db2.gz YKPXSKNERYFYCV-LJQANCHMSA-N 2 0 377.532 4.260 20 0 GIADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc(N2CCCC2=O)cc1 ZINC000123062936 823455527 /nfs/dbraw/zinc/45/55/27/823455527.db2.gz LDPYJJHOUDBXQS-IBGZPJMESA-N 2 0 377.532 4.260 20 0 GIADRP O=C1Nc2ccccc2C12CCC([NH2+]Cc1cccc(C[NH+]3CCCC3)c1)CC2 ZINC000123066136 823455945 /nfs/dbraw/zinc/45/59/45/823455945.db2.gz QENGYQPLHLNLMV-UHFFFAOYSA-N 2 0 389.543 4.205 20 0 GIADRP COc1cc(C[NH2+]Cc2ccc(C[NH+](C)C)cc2)ccc1OCc1ccncc1 ZINC000030545902 820637962 /nfs/dbraw/zinc/63/79/62/820637962.db2.gz IPWYLTHBYPPYCL-UHFFFAOYSA-N 2 0 391.515 4.021 20 0 GIADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000177696932 823514387 /nfs/dbraw/zinc/51/43/87/823514387.db2.gz LFLIRJITQVJAHD-OALUTQOASA-N 2 0 397.529 4.128 20 0 GIADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccc(Cl)c4cccnc34)CC2)C[C@H](C)O1 ZINC000060368359 823520508 /nfs/dbraw/zinc/52/05/08/823520508.db2.gz LMKAVXWHTZTIHW-IRXDYDNUSA-N 2 0 387.955 4.209 20 0 GIADRP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCCCc2cccc(C(F)(F)F)c2)CC1 ZINC000190048650 823530514 /nfs/dbraw/zinc/53/05/14/823530514.db2.gz YGQOYRAIHIJAAD-OAQYLSRUSA-N 2 0 397.529 4.130 20 0 GIADRP C[C@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000180690829 821397113 /nfs/dbraw/zinc/39/71/13/821397113.db2.gz VGEBFBGQDYMNHF-MGPUTAFESA-N 2 0 396.453 4.030 20 0 GIADRP C[NH+](C)C1CCN(CC[NH2+][C@H](c2cccc(F)c2)c2cccc(Cl)c2)CC1 ZINC000180712553 821411535 /nfs/dbraw/zinc/41/15/35/821411535.db2.gz QIVQCTLQIDWQAT-QFIPXVFZSA-N 2 0 389.946 4.184 20 0 GIADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC000180904152 821527131 /nfs/dbraw/zinc/52/71/31/821527131.db2.gz ODXFNCLIQWTHAI-INIZCTEOSA-N 2 0 395.469 4.081 20 0 GIADRP CC(C)C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cccs1 ZINC000180975254 821567301 /nfs/dbraw/zinc/56/73/01/821567301.db2.gz BAJNODIJCAYLOA-NRFANRHFSA-N 2 0 399.604 4.451 20 0 GIADRP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000180976691 821568645 /nfs/dbraw/zinc/56/86/45/821568645.db2.gz WIIAWUNKMNJDOT-XXBNENTESA-N 2 0 391.559 4.159 20 0 GIADRP CC1(C)[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C[C@H]1c1ccccc1 ZINC000181016908 821595206 /nfs/dbraw/zinc/59/52/06/821595206.db2.gz FLLIMIUQPDONTB-ZEQRLZLVSA-N 2 0 378.560 4.315 20 0 GIADRP Cc1cc2ncc([C@@H](C)[NH2+]Cc3ccc(C[N@@H+]4CCC[C@H](C)C4)cc3)c(C)n2n1 ZINC000181201904 821694024 /nfs/dbraw/zinc/69/40/24/821694024.db2.gz FZZSSHJTJPOQNP-PKOBYXMFSA-N 2 0 391.563 4.429 20 0 GIADRP CC[N@H+](Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[NH+](C3CCC3)C2)cc1)C(C)C ZINC000181662796 821929910 /nfs/dbraw/zinc/92/99/10/821929910.db2.gz UKSXFOGYQAOUNF-SIKLNZKXSA-N 2 0 385.596 4.300 20 0 GIADRP COc1ccc([C@H](C)[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)cc1NC(C)=O ZINC000181664327 821931126 /nfs/dbraw/zinc/93/11/26/821931126.db2.gz XQUMLVPAEIPNIP-RPCJCACASA-N 2 0 387.568 4.347 20 0 GIADRP COc1ccccc1[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)C1CCCC1 ZINC000182263787 822176708 /nfs/dbraw/zinc/17/67/08/822176708.db2.gz DYKQASOVTFYCAH-DHLKQENFSA-N 2 0 394.559 4.283 20 0 GIADRP CCOc1cccc2cc([C@@H](C)[NH2+]Cc3ccccc3C[N@@H+]3CC[C@H](O)C3)oc21 ZINC000182267762 822179073 /nfs/dbraw/zinc/17/90/73/822179073.db2.gz RGWGQOCZODUGOA-UTKZUKDTSA-N 2 0 394.515 4.249 20 0 GIADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000182270118 822180440 /nfs/dbraw/zinc/18/04/40/822180440.db2.gz JYKFUYLOTOUOHA-BJKOFHAPSA-N 2 0 382.523 4.413 20 0 GIADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CCc2cn3ccccc3n2)ccc1OC ZINC000182310551 822198265 /nfs/dbraw/zinc/19/82/65/822198265.db2.gz LSLRPYBYECBIJW-SFHVURJKSA-N 2 0 380.536 4.078 20 0 GIADRP COc1ccc([C@H](C)[NH2+]C2CCC3(CC2)OCCO3)cc1C[NH+]1CCCCC1 ZINC000182483915 822261080 /nfs/dbraw/zinc/26/10/80/822261080.db2.gz GRVAGWICNDAQMP-SFHVURJKSA-N 2 0 388.552 4.017 20 0 GIADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)c1 ZINC000177979794 822267830 /nfs/dbraw/zinc/26/78/30/822267830.db2.gz ZHSYQOJVHWRQRI-UHFFFAOYSA-N 2 0 391.559 4.449 20 0 GIADRP COc1ccc([C@H](C)[NH2+]Cc2ccc(CO)c(F)c2)cc1C[NH+]1CCCCC1 ZINC000182576822 822309641 /nfs/dbraw/zinc/30/96/41/822309641.db2.gz JJHIXIMGNGPCPE-KRWDZBQOSA-N 2 0 386.511 4.163 20 0 GIADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2ccc3ccccc3n2)CC1 ZINC000178133525 822329276 /nfs/dbraw/zinc/32/92/76/822329276.db2.gz KAHNEQNMVPCULJ-HXUWFJFHSA-N 2 0 388.559 4.223 20 0 GIADRP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178167795 822339375 /nfs/dbraw/zinc/33/93/75/822339375.db2.gz HGODJKZIWMWGHG-LJQANCHMSA-N 2 0 387.568 4.000 20 0 GIADRP COc1ccc([C@@H](C)[NH2+]C[C@H](C)Cn2ccnc2C)cc1C[NH+]1CCCCC1 ZINC000182825836 822373852 /nfs/dbraw/zinc/37/38/52/822373852.db2.gz MSRBXANKMWHZLL-RBUKOAKNSA-N 2 0 384.568 4.173 20 0 GIADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(NC(N)=O)cc2)ccc1OC ZINC000182963947 822400718 /nfs/dbraw/zinc/40/07/18/822400718.db2.gz GYUKISFWVRLLSZ-IAGOWNOFSA-N 2 0 398.551 4.439 20 0 GIADRP C[C@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183101530 822424477 /nfs/dbraw/zinc/42/44/77/822424477.db2.gz DJMKOMBEJBSSBG-FPOVZHCZSA-N 2 0 379.548 4.403 20 0 GIADRP COCCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1OC ZINC000183190975 822438685 /nfs/dbraw/zinc/43/86/85/822438685.db2.gz MSDPVXLURZEDRV-NLWGTHIKSA-N 2 0 390.568 4.024 20 0 GIADRP C[C@@H]([NH2+]C1CCC2(CC1)c1ccccc1NC2=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183191260 822438948 /nfs/dbraw/zinc/43/89/48/822438948.db2.gz YGBLUOQBJFFECZ-KVZCDSOOSA-N 2 0 381.564 4.062 20 0 GIADRP C[C@@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)nc1 ZINC000179136313 822441973 /nfs/dbraw/zinc/44/19/73/822441973.db2.gz MCYFLIHLHYDMKT-GOSISDBHSA-N 2 0 387.955 4.457 20 0 GIADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000183226196 822444168 /nfs/dbraw/zinc/44/41/68/822444168.db2.gz AWJHQQHTNCSFEO-HZPDHXFCSA-N 2 0 385.474 4.277 20 0 GIADRP Cc1ccc(NC(=O)[C@H](C)[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000179391521 822476102 /nfs/dbraw/zinc/47/61/02/822476102.db2.gz DYIXPVHJUCWLCH-FQEVSTJZSA-N 2 0 394.563 4.264 20 0 GIADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000047303560 822563387 /nfs/dbraw/zinc/56/33/87/822563387.db2.gz UZICJFWBQSNZKE-UHFFFAOYSA-N 2 0 393.575 4.057 20 0 GIADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H](c2ccccc2F)C2CCCC2)c1 ZINC000180086834 822612517 /nfs/dbraw/zinc/61/25/17/822612517.db2.gz SMQZMRKEXAOKGW-QHCPKHFHSA-N 2 0 397.538 4.138 20 0 GIADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000180113039 822617894 /nfs/dbraw/zinc/61/78/94/822617894.db2.gz NKLLZGBQNUGITN-UHFFFAOYSA-N 2 0 389.584 4.452 20 0 GIADRP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)cc1F ZINC000180268628 822651528 /nfs/dbraw/zinc/65/15/28/822651528.db2.gz XDJOMZSKURNGSL-QGZVFWFLSA-N 2 0 385.527 4.216 20 0 GIADRP CCC(CC)[C@H]1C[C@@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000180374932 822671817 /nfs/dbraw/zinc/67/18/17/822671817.db2.gz CFKBUMBIEAVTTH-XUZZJYLKSA-N 2 0 387.612 4.290 20 0 GIADRP Cc1nc(-c2ccc(C[NH2+]Cc3ccc(OCC[NH+](C)C)cc3)cc2)cs1 ZINC000048685288 822678235 /nfs/dbraw/zinc/67/82/35/822678235.db2.gz VMEAHZYQJPJURL-UHFFFAOYSA-N 2 0 381.545 4.349 20 0 GIADRP CN(c1ccccc1C[N@H+](CCC(F)(F)F)CC1CC1)C1CC[NH+](C)CC1 ZINC000180537509 822698212 /nfs/dbraw/zinc/69/82/12/822698212.db2.gz QSGOVACTLYRZFN-UHFFFAOYSA-N 2 0 383.502 4.381 20 0 GIADRP C[C@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[C@H](c1ccccc1)[NH+](C)C ZINC000455838569 822734730 /nfs/dbraw/zinc/73/47/30/822734730.db2.gz BUWQOQJTDBLMAP-WQTXXOFMSA-N 2 0 380.536 4.048 20 0 GIADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)Nc3ccc4c(c3)CC[C@@H]4[NH+](C)C)C2)CC1 ZINC000455892917 822743688 /nfs/dbraw/zinc/74/36/88/822743688.db2.gz CAHOZBKPFIGWAX-XXBNENTESA-N 2 0 398.595 4.211 20 0 GIADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CCC[C@@H](C[NH+]4CCCCCC4)C3)ccc21 ZINC000455919645 822749416 /nfs/dbraw/zinc/74/94/16/822749416.db2.gz LJOIVLIFCJPEIQ-CVDCTZTESA-N 2 0 398.595 4.355 20 0 GIADRP C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cc(Cl)ccc1O ZINC000185360339 822771326 /nfs/dbraw/zinc/77/13/26/822771326.db2.gz LYEXDFCKXYTHRC-GJZGRUSLSA-N 2 0 391.918 4.348 20 0 GIADRP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccc(Br)cc1O ZINC000185459671 822786987 /nfs/dbraw/zinc/78/69/87/822786987.db2.gz OMRLYAORRREHPC-LBPRGKRZSA-N 2 0 381.289 4.206 20 0 GIADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000174451919 822791573 /nfs/dbraw/zinc/79/15/73/822791573.db2.gz GWZZOAQMAMMZAH-UHFFFAOYSA-N 2 0 386.499 4.387 20 0 GIADRP C[C@@H]([NH2+]CCCCC[NH2+][C@@H](C)[C@@H]1COc2ccccc21)[C@H]1COc2ccccc21 ZINC000185596116 822800445 /nfs/dbraw/zinc/80/04/45/822800445.db2.gz TUZHOHRDUDKATP-PVTAMDAMSA-N 2 0 394.559 4.465 20 0 GIADRP C[C@H]([NH2+]Cc1ccc(SC(=O)N(C)C)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185683142 822809801 /nfs/dbraw/zinc/80/98/01/822809801.db2.gz ABOOBTFWYLWHLB-WMZOPIPTSA-N 2 0 375.582 4.203 20 0 GIADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000185889940 822830284 /nfs/dbraw/zinc/83/02/84/822830284.db2.gz YUJVRZNVMTUUCF-UHFFFAOYSA-N 2 0 375.944 4.106 20 0 GIADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000185892340 822830507 /nfs/dbraw/zinc/83/05/07/822830507.db2.gz VIKPSOKHUKBDAK-UHFFFAOYSA-N 2 0 375.557 4.060 20 0 GIADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)c2sccc2OC)CC1 ZINC000186154456 822856262 /nfs/dbraw/zinc/85/62/62/822856262.db2.gz RNKKMNXJVSUIOL-CVEARBPZSA-N 2 0 391.556 4.450 20 0 GIADRP COc1ccsc1[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000186154355 822856323 /nfs/dbraw/zinc/85/63/23/822856323.db2.gz YYHAHBAKXCLWND-HUUCEWRRSA-N 2 0 377.529 4.059 20 0 GIADRP CC1(C)OCc2cc(C[NH2+]CC3CC[NH+](Cc4ccccc4)CC3)ccc2O1 ZINC000186370606 822883443 /nfs/dbraw/zinc/88/34/43/822883443.db2.gz IDVJVPFZAXDLAW-UHFFFAOYSA-N 2 0 380.532 4.334 20 0 GIADRP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)CC[N@@H+]1Cc1ccccc1 ZINC000186393414 822887013 /nfs/dbraw/zinc/88/70/13/822887013.db2.gz VIQDSFCZZKJYBP-PGRDOPGGSA-N 2 0 380.532 4.474 20 0 GIADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000569174513 822888673 /nfs/dbraw/zinc/88/86/73/822888673.db2.gz NBNVPLLXAVILOB-QGZVFWFLSA-N 2 0 387.518 4.308 20 0 GIADRP COc1ccccc1-c1ccc([C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000186590621 822919008 /nfs/dbraw/zinc/91/90/08/822919008.db2.gz NIQQCZORLGQMKM-PMACEKPBSA-N 2 0 381.564 4.039 20 0 GIADRP CCOc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)CCO2 ZINC000186693467 822938780 /nfs/dbraw/zinc/93/87/80/822938780.db2.gz KDCJQGDOFLJAEW-HTAPYJJXSA-N 2 0 384.520 4.200 20 0 GIADRP CCOc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)CCO2 ZINC000186700412 822940415 /nfs/dbraw/zinc/94/04/15/822940415.db2.gz JYUBONXPOYZIJI-JTSKRJEESA-N 2 0 384.520 4.200 20 0 GIADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)c3cccnc23)[C@H](C)C1 ZINC000187010823 822997287 /nfs/dbraw/zinc/99/72/87/822997287.db2.gz BIIRSYCOLHSIQR-UZLBHIALSA-N 2 0 375.944 4.115 20 0 GIADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](c3ccccc3)c3ccc(Cl)cc3)C2)CC1 ZINC000411248280 823560306 /nfs/dbraw/zinc/56/03/06/823560306.db2.gz ATHWVXUHVXUKAX-DHIUTWEWSA-N 2 0 383.967 4.141 20 0 GIADRP c1cc(C[NH+]2CCCCC2)cc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)c1 ZINC000411305629 823563789 /nfs/dbraw/zinc/56/37/89/823563789.db2.gz DPWXPHAXTRIYMI-DEOSSOPVSA-N 2 0 386.580 4.223 20 0 GIADRP Cc1ccc2ncc(C[N@@H+](C)CCC3CC[NH+](C4CCN(C)CC4)CC3)cc2c1 ZINC000411313779 823563987 /nfs/dbraw/zinc/56/39/87/823563987.db2.gz YFNBVDZDTNGKNV-UHFFFAOYSA-N 2 0 394.607 4.171 20 0 GIADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1ccc(-n2cncn2)cc1 ZINC000411438548 823574178 /nfs/dbraw/zinc/57/41/78/823574178.db2.gz NJVGTOMLYNIWIZ-LJQANCHMSA-N 2 0 375.520 4.104 20 0 GIADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000461107078 823578789 /nfs/dbraw/zinc/57/87/89/823578789.db2.gz IQTTVMMYPKNZPR-RYXOHYEVSA-N 2 0 386.580 4.245 20 0 GIADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(-n2ccnn2)cc1 ZINC000411475571 823579294 /nfs/dbraw/zinc/57/92/94/823579294.db2.gz AQZAMZCJEMTZQB-LJQANCHMSA-N 2 0 375.520 4.104 20 0 GIADRP C[C@@H](CC[NH+]1CCC2(CCOCC2)[C@@H]1C)CC[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000411523138 823584548 /nfs/dbraw/zinc/58/45/48/823584548.db2.gz GRNFTMBWNHVENH-DKUWSORSSA-N 2 0 392.628 4.185 20 0 GIADRP CC(CC[NH+]1CCC2(CCOCC2)CC1)CC[NH+]1CCC2(CCOCC2)CC1 ZINC000411764603 823603406 /nfs/dbraw/zinc/60/34/06/823603406.db2.gz GADUKKQLIKWVGQ-UHFFFAOYSA-N 2 0 392.628 4.188 20 0 GIADRP CCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)s1 ZINC000124574305 823607648 /nfs/dbraw/zinc/60/76/48/823607648.db2.gz CPFHOTLFPLUEKF-IXDOHACOSA-N 2 0 387.593 4.474 20 0 GIADRP Cc1cc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c2cc(F)ccc2[nH+]1 ZINC000124586690 823608716 /nfs/dbraw/zinc/60/87/16/823608716.db2.gz ZNCUDFRASAKWQL-UHFFFAOYSA-N 2 0 379.479 4.251 20 0 GIADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]C3CCN(c4ccccc4)CC3)cc2)C[C@H](C)O1 ZINC000124621709 823612007 /nfs/dbraw/zinc/61/20/07/823612007.db2.gz WNBCIVPHVBOZCM-OYRHEFFESA-N 2 0 393.575 4.054 20 0 GIADRP COc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c(OC)c1 ZINC000124639871 823613323 /nfs/dbraw/zinc/61/33/23/823613323.db2.gz GGFLXUCEOPKZAZ-OTWHNJEPSA-N 2 0 398.547 4.164 20 0 GIADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)c1ccc(-n2cncn2)cc1 ZINC000125122731 823653041 /nfs/dbraw/zinc/65/30/41/823653041.db2.gz GCJMBKDNWKEXCQ-FQEVSTJZSA-N 2 0 389.547 4.494 20 0 GIADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000163562329 823722075 /nfs/dbraw/zinc/72/20/75/823722075.db2.gz MERWNPSXQSFZAW-SFHVURJKSA-N 2 0 381.520 4.336 20 0 GIADRP COCOc1ccc(OC)cc1C[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000163686661 823736600 /nfs/dbraw/zinc/73/66/00/823736600.db2.gz NFYCOILDUSPOJS-IBGZPJMESA-N 2 0 398.547 4.342 20 0 GIADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000125897168 823739809 /nfs/dbraw/zinc/73/98/09/823739809.db2.gz YZUSEWJKRRXFIO-BBWFWOEESA-N 2 0 399.501 4.380 20 0 GIADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000163785665 823748849 /nfs/dbraw/zinc/74/88/49/823748849.db2.gz YVXPCQLMZHTYRL-KRWDZBQOSA-N 2 0 383.536 4.346 20 0 GIADRP COCCOCc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)cc1 ZINC000574517677 823753977 /nfs/dbraw/zinc/75/39/77/823753977.db2.gz HQIAWIIEPUPDOD-DEOSSOPVSA-N 2 0 394.559 4.136 20 0 GIADRP COc1ccccc1[C@H](C)[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000163956429 823765473 /nfs/dbraw/zinc/76/54/73/823765473.db2.gz DAEUWCREBGPWLL-IBGZPJMESA-N 2 0 398.547 4.036 20 0 GIADRP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)cc1NC(C)=O ZINC000164023180 823771117 /nfs/dbraw/zinc/77/11/17/823771117.db2.gz URKKCHHAKJUFHO-GOSISDBHSA-N 2 0 395.547 4.490 20 0 GIADRP C[NH+]1CCC(N2CCC([NH2+]Cc3ccc(-c4ccccc4Cl)o3)CC2)CC1 ZINC000126037901 823771839 /nfs/dbraw/zinc/77/18/39/823771839.db2.gz KVGLPIANSXSYKB-UHFFFAOYSA-N 2 0 387.955 4.248 20 0 GIADRP O=C(NC1CC[NH+](CC2CCCC2)CC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000574660755 823793305 /nfs/dbraw/zinc/79/33/05/823793305.db2.gz AYMVRLDPFVJRDO-UHFFFAOYSA-N 2 0 383.580 4.057 20 0 GIADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(-c2c(F)cccc2F)cc1)CN1CC[NH+](C)CC1 ZINC000574728368 823811804 /nfs/dbraw/zinc/81/18/04/823811804.db2.gz NJKRREFLVOQBOG-ROUUACIJSA-N 2 0 387.518 4.166 20 0 GIADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CCCOc3ccccc32)cc1OC ZINC000164930812 823825605 /nfs/dbraw/zinc/82/56/05/823825605.db2.gz ZNSJMWSPNQUTPA-NRFANRHFSA-N 2 0 398.547 4.419 20 0 GIADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCCOc3ccccc32)cc1OC ZINC000164930692 823825747 /nfs/dbraw/zinc/82/57/47/823825747.db2.gz ZNSJMWSPNQUTPA-OAQYLSRUSA-N 2 0 398.547 4.419 20 0 GIADRP C[C@@H]([NH2+]Cc1ccccc1-c1ccc(Cn2ccnc2)cc1)C1CC[NH+](C)CC1 ZINC000165581948 823854442 /nfs/dbraw/zinc/85/44/42/823854442.db2.gz ACVFRBQYNCVXSK-HXUWFJFHSA-N 2 0 388.559 4.418 20 0 GIADRP CC[N@@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)[C@H](C)C1 ZINC000167901114 823898257 /nfs/dbraw/zinc/89/82/57/823898257.db2.gz INUKPIAQBCHXIR-QRWLVFNGSA-N 2 0 384.395 4.278 20 0 GIADRP COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c(C)c1 ZINC000414115037 823912815 /nfs/dbraw/zinc/91/28/15/823912815.db2.gz MKYUVUOJXBMABS-MSOLQXFVSA-N 2 0 385.527 4.306 20 0 GIADRP C[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000414176189 823923224 /nfs/dbraw/zinc/92/32/24/823923224.db2.gz HFEGIVJVMIFYMG-JXFKEZNVSA-N 2 0 383.467 4.272 20 0 GIADRP COc1ccc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc1F ZINC000126691381 823928841 /nfs/dbraw/zinc/92/88/41/823928841.db2.gz FRYKGFCLRLSWKH-HOTGVXAUSA-N 2 0 389.490 4.137 20 0 GIADRP C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cc(F)c(F)c(F)c1 ZINC000126704947 823931502 /nfs/dbraw/zinc/93/15/02/823931502.db2.gz CGYOFEOGPWLCBJ-KBPBESRZSA-N 2 0 395.444 4.407 20 0 GIADRP Cc1occc1C[NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000414266649 823946698 /nfs/dbraw/zinc/94/66/98/823946698.db2.gz IFTNNHOUEBJXAF-UHFFFAOYSA-N 2 0 375.516 4.200 20 0 GIADRP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000414297605 823953775 /nfs/dbraw/zinc/95/37/75/823953775.db2.gz GIRRUXUEOJKKAL-PKTZIBPZSA-N 2 0 393.575 4.033 20 0 GIADRP CC(C)(C)C1CCC([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CC1 ZINC000414329539 823959335 /nfs/dbraw/zinc/95/93/35/823959335.db2.gz QTXBRCJMOVNWCB-UHFFFAOYSA-N 2 0 385.596 4.078 20 0 GIADRP C[C@@H]1C[C@@H](C[NH+]2CCC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)CC[NH2+]1 ZINC000414749268 824032729 /nfs/dbraw/zinc/03/27/29/824032729.db2.gz XYPPNYWOJGWJLT-KGLIPLIRSA-N 2 0 384.351 4.032 20 0 GIADRP Brc1cccc(-c2nc(C[NH2+]CC[C@H]3CCC[NH2+]C3)cs2)c1 ZINC000414830871 824040362 /nfs/dbraw/zinc/04/03/62/824040362.db2.gz CNVRKMXZVPLMCC-CYBMUJFWSA-N 2 0 380.355 4.052 20 0 GIADRP Brc1ccc(-c2ncc(C[NH2+]CC[C@@H]3CCC[NH2+]C3)s2)cc1 ZINC000414833552 824040492 /nfs/dbraw/zinc/04/04/92/824040492.db2.gz GJCMGSDHWHCCIJ-ZDUSSCGKSA-N 2 0 380.355 4.052 20 0 GIADRP CC[NH+]1CCC(C[NH2+][C@@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)CC1 ZINC000575968664 824041171 /nfs/dbraw/zinc/04/11/71/824041171.db2.gz JYLFZOGOEOEXEI-DEOSSOPVSA-N 2 0 382.548 4.309 20 0 GIADRP CC(C)c1ccc([C@@H](N)C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000414850389 824041688 /nfs/dbraw/zinc/04/16/88/824041688.db2.gz SBGFAZOLCJZHKX-DEOSSOPVSA-N 2 0 394.607 4.130 20 0 GIADRP CCCOc1c(Br)cc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1OCC ZINC000414855819 824042754 /nfs/dbraw/zinc/04/27/54/824042754.db2.gz NSYJWQZMSLPBDP-GDBMZVCRSA-N 2 0 399.373 4.114 20 0 GIADRP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414897360 824047227 /nfs/dbraw/zinc/04/72/27/824047227.db2.gz DTMJOSLAPHBXAB-LBPRGKRZSA-N 2 0 391.865 4.055 20 0 GIADRP Cc1cc2[nH]ccc2c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)[nH+]1 ZINC001164908906 721709934 /nfs/dbraw/zinc/70/99/34/721709934.db2.gz ZKXGPYDASDPYLX-NRFANRHFSA-N 2 0 397.473 4.004 20 0 GIADRP Cc1c(F)cccc1NC(=O)CC[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000570631129 823064402 /nfs/dbraw/zinc/06/44/02/823064402.db2.gz WIWIUAZJITYCGP-GOSISDBHSA-N 2 0 397.538 4.484 20 0 GIADRP C[C@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000120822791 823071420 /nfs/dbraw/zinc/07/14/20/823071420.db2.gz VAOOFNWLFCWUSB-RDPSFJRHSA-N 2 0 381.564 4.115 20 0 GIADRP C[C@H](C[NH2+][C@@H](C)c1ccc(Oc2ccccc2)c(F)c1)CN1CC[NH+](C)CC1 ZINC000120832506 823073408 /nfs/dbraw/zinc/07/34/08/823073408.db2.gz QEQAZRMALDXXLS-MOPGFXCFSA-N 2 0 385.527 4.152 20 0 GIADRP Cc1ccccc1NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000056156227 823091596 /nfs/dbraw/zinc/09/15/96/823091596.db2.gz CBNKMAWIRDEROR-PMACEKPBSA-N 2 0 379.548 4.486 20 0 GIADRP C[C@H]([NH2+][C@H]1CCc2c1cc(F)cc2F)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000121288475 823155653 /nfs/dbraw/zinc/15/56/53/823155653.db2.gz PDEMICNHUIFBMJ-QKKBWIMNSA-N 2 0 389.465 4.194 20 0 GIADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCCSc3ccc(Cl)cc32)CC1 ZINC000121293818 823156918 /nfs/dbraw/zinc/15/69/18/823156918.db2.gz KJVRCHAHZIEWRE-VQIMIIECSA-N 2 0 382.017 4.130 20 0 GIADRP Clc1cccc([C@@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)N2CCCC2)c1 ZINC000459372208 823175126 /nfs/dbraw/zinc/17/51/26/823175126.db2.gz UHOIFPCORZTCLM-JOCHJYFZSA-N 2 0 384.955 4.131 20 0 GIADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000459371521 823175133 /nfs/dbraw/zinc/17/51/33/823175133.db2.gz IGJOXDAILIAYDQ-HXUWFJFHSA-N 3 0 378.564 4.072 20 0 GIADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)cc2)C1 ZINC000459378977 823177679 /nfs/dbraw/zinc/17/76/79/823177679.db2.gz SANACBSPGMPRLJ-HXUWFJFHSA-N 3 0 378.564 4.072 20 0 GIADRP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000188112657 823188327 /nfs/dbraw/zinc/18/83/27/823188327.db2.gz CBCIYWHWZBGIEM-NOZRDPDXSA-N 2 0 378.560 4.243 20 0 GIADRP CC[C@@H](Cc1ccccc1Br)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459455179 823195444 /nfs/dbraw/zinc/19/54/44/823195444.db2.gz YQEONUCPWCTRBI-KRWDZBQOSA-N 2 0 388.353 4.424 20 0 GIADRP CCOc1cc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)ccc1O ZINC000459431542 823190776 /nfs/dbraw/zinc/19/07/76/823190776.db2.gz LULPGLZOPYOQRP-UHFFFAOYSA-N 2 0 380.488 4.306 20 0 GIADRP Clc1ccc(Br)c(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000459448075 823194211 /nfs/dbraw/zinc/19/42/11/823194211.db2.gz KKALMKBBOHRELA-UHFFFAOYSA-N 2 0 394.744 4.299 20 0 GIADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(Br)cc1F ZINC000459551842 823218473 /nfs/dbraw/zinc/21/84/73/823218473.db2.gz SXQGEMFRQLOVBO-CYBMUJFWSA-N 2 0 378.289 4.303 20 0 GIADRP Clc1ccccc1-c1nnc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)o1 ZINC000121670663 823227145 /nfs/dbraw/zinc/22/71/45/823227145.db2.gz JVOABPHZMSBBOB-UHFFFAOYSA-N 2 0 388.943 4.478 20 0 GIADRP C[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000121817939 823257161 /nfs/dbraw/zinc/25/71/61/823257161.db2.gz MHBFKONANBAMBD-MSOLQXFVSA-N 2 0 395.547 4.387 20 0 GIADRP C[C@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000121817791 823257187 /nfs/dbraw/zinc/25/71/87/823257187.db2.gz MHBFKONANBAMBD-ROUUACIJSA-N 2 0 395.547 4.387 20 0 GIADRP C[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccccc1-n1cccn1 ZINC000121835397 823259987 /nfs/dbraw/zinc/25/99/87/823259987.db2.gz QEFZJSRUVIQEGY-RBUKOAKNSA-N 2 0 378.520 4.225 20 0 GIADRP Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)C[C@H](c3ccccc3)[NH+](C)C)C2)s1 ZINC000572126456 823287135 /nfs/dbraw/zinc/28/71/35/823287135.db2.gz FVGGKAVCMDCHAK-DENIHFKCSA-N 2 0 399.604 4.030 20 0 GIADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2nc(-c3ccccc3)oc2C)CC1 ZINC000122133010 823311060 /nfs/dbraw/zinc/31/10/60/823311060.db2.gz YPQSKCFCSJLCIU-UHFFFAOYSA-N 2 0 385.552 4.220 20 0 GIADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)c1 ZINC000189090368 823355854 /nfs/dbraw/zinc/35/58/54/823355854.db2.gz XXXKLWBIGABZTN-UHFFFAOYSA-N 2 0 380.511 4.201 20 0 GIADRP CCCN(CC[NH+]1CCCCCC1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000460406418 823378881 /nfs/dbraw/zinc/37/88/81/823378881.db2.gz OFVZSUYNYYRCFT-UHFFFAOYSA-N 2 0 392.632 4.081 20 0 GIADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000122723039 823400577 /nfs/dbraw/zinc/40/05/77/823400577.db2.gz LGFKJRXODYWIMC-HOTGVXAUSA-N 2 0 385.474 4.277 20 0 GIADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000177261071 823412706 /nfs/dbraw/zinc/41/27/06/823412706.db2.gz AOXOEICKJKBXHA-UHFFFAOYSA-N 2 0 375.557 4.016 20 0 GIADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccccc1Cl ZINC000177351202 823442827 /nfs/dbraw/zinc/44/28/27/823442827.db2.gz XVIAMWKEONLLAW-QGZVFWFLSA-N 2 0 385.939 4.016 20 0 GIADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1cccc(Cl)c1 ZINC000025702218 820016388 /nfs/dbraw/zinc/01/63/88/820016388.db2.gz KVUXDCPHWNPMSI-KRWDZBQOSA-N 2 0 385.939 4.443 20 0 GIADRP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000123235573 823482983 /nfs/dbraw/zinc/48/29/83/823482983.db2.gz MQKVYPGCQOPWHG-UHFFFAOYSA-N 2 0 379.548 4.346 20 0 GIADRP CCn1c2ccccc2c2cc(C[NH2+]C[C@@H](C(C)C)N3CC[NH+](C)CC3)ccc21 ZINC000030665073 820661508 /nfs/dbraw/zinc/66/15/08/820661508.db2.gz SRMVMNPOMONBOT-VWLOTQADSA-N 2 0 392.591 4.176 20 0 GIADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)o1 ZINC000030907096 820705867 /nfs/dbraw/zinc/70/58/67/820705867.db2.gz CJZRJZKYMVJNPC-SFHVURJKSA-N 2 0 376.504 4.015 20 0 GIADRP Cc1cc(C)c(NC(=O)[C@@H](C)N2CCC(CCC[NH+](C)C)CC2)c(Cl)c1 ZINC000123629223 823527498 /nfs/dbraw/zinc/52/74/98/823527498.db2.gz YPHROGCIXANHDF-QGZVFWFLSA-N 2 0 379.976 4.338 20 0 GIADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(OC(F)(F)F)cc1 ZINC000180641732 821379537 /nfs/dbraw/zinc/37/95/37/821379537.db2.gz LIBMNVBYBBJWOO-BEFAXECRSA-N 2 0 394.437 4.003 20 0 GIADRP C[C@@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000180690614 821396977 /nfs/dbraw/zinc/39/69/77/821396977.db2.gz AUVDMCACDXFINC-FOIQADDNSA-N 2 0 396.453 4.030 20 0 GIADRP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000180976712 821568267 /nfs/dbraw/zinc/56/82/67/821568267.db2.gz WIIAWUNKMNJDOT-CVDCTZTESA-N 2 0 391.559 4.159 20 0 GIADRP COCCc1nc(C)c([C@H](C)[NH2+]CC2CC[NH+](Cc3cccs3)CC2)s1 ZINC000181405122 821809398 /nfs/dbraw/zinc/80/93/98/821809398.db2.gz ASVXZMRGJVKRDI-HNNXBMFYSA-N 2 0 393.622 4.265 20 0 GIADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000181410767 821811233 /nfs/dbraw/zinc/81/12/33/821811233.db2.gz RDFYDJZEMSMNLW-KYNGSXCRSA-N 2 0 386.458 4.004 20 0 GIADRP COc1cccc2cc([C@H](C)[NH2+]CC3(N4CCCCC4)CC[NH+](C)CC3)oc21 ZINC000181827645 822009119 /nfs/dbraw/zinc/00/91/19/822009119.db2.gz QKRKWSWYEBFHFN-SFHVURJKSA-N 2 0 385.552 4.042 20 0 GIADRP C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000182161148 822124668 /nfs/dbraw/zinc/12/46/68/822124668.db2.gz BGNXMCJZSJNWDG-ITEAAPOESA-N 2 0 390.474 4.086 20 0 GIADRP COc1ccc([C@@H](C)[NH2+]C[C@H](c2ccco2)N(C)C)cc1C[NH+]1CCCCC1 ZINC000182204717 822146145 /nfs/dbraw/zinc/14/61/45/822146145.db2.gz ZJESYOUHXDGVQC-WIYYLYMNSA-N 2 0 385.552 4.228 20 0 GIADRP Cc1cc2cc([C@H](C)[NH2+]Cc3ccccc3C[N@@H+]3CC[C@H](O)C3)oc2cc1C ZINC000182260791 822174550 /nfs/dbraw/zinc/17/45/50/822174550.db2.gz SDCXJIGWOQACSI-AVRDEDQJSA-N 2 0 378.516 4.467 20 0 GIADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H](c2ccccc2F)C2CCCC2)C1 ZINC000182261591 822175157 /nfs/dbraw/zinc/17/51/57/822175157.db2.gz QAERRZZPCWGCDD-XUZZJYLKSA-N 2 0 382.523 4.413 20 0 GIADRP CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccccc1OC(F)F ZINC000182267946 822179058 /nfs/dbraw/zinc/17/90/58/822179058.db2.gz ORJDKRTZRTYEAT-AZUAARDMSA-N 2 0 390.474 4.096 20 0 GIADRP COc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000177980054 822268110 /nfs/dbraw/zinc/26/81/10/822268110.db2.gz MEZNMWHJZGESPH-GOSISDBHSA-N 2 0 383.536 4.042 20 0 GIADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000178243087 822357906 /nfs/dbraw/zinc/35/79/06/822357906.db2.gz GMAKQVXHNWCQCF-IBGZPJMESA-N 2 0 383.502 4.132 20 0 GIADRP C[C@H](Nc1cccc(C[NH+]2CCSCC2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000182802562 822370028 /nfs/dbraw/zinc/37/00/28/822370028.db2.gz ZIXCJTALYRMPGZ-IBGZPJMESA-N 2 0 399.604 4.349 20 0 GIADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000178603391 822395460 /nfs/dbraw/zinc/39/54/60/822395460.db2.gz CTUSOIYDBOGZDU-INIZCTEOSA-N 2 0 394.401 4.128 20 0 GIADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C[C@@](C)(O)c2cccs2)ccc1OC ZINC000183006469 822410100 /nfs/dbraw/zinc/41/01/00/822410100.db2.gz NPLNYOLWHBVMFS-IIBYNOLFSA-N 2 0 376.566 4.157 20 0 GIADRP COc1ccc([C@H](C)[NH2+]C[C@](C)(O)c2ccsc2)cc1C[NH+]1CCCCC1 ZINC000183011109 822410922 /nfs/dbraw/zinc/41/09/22/822410922.db2.gz XMQARUXLAQPRND-JTSKRJEESA-N 2 0 388.577 4.301 20 0 GIADRP Cn1ccnc1[C@H]([NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1)C1CC1 ZINC000183274887 822452205 /nfs/dbraw/zinc/45/22/05/822452205.db2.gz WOHXTVHYMWCZQN-HSZRJFAPSA-N 2 0 380.580 4.196 20 0 GIADRP C[C@@H](c1nc(-c2cccs2)no1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179394648 822476552 /nfs/dbraw/zinc/47/65/52/822476552.db2.gz SEGBJJRLSIPURL-INIZCTEOSA-N 2 0 397.548 4.493 20 0 GIADRP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000183498492 822486323 /nfs/dbraw/zinc/48/63/23/822486323.db2.gz NHYVPOQYFPWANC-LJQANCHMSA-N 2 0 395.547 4.013 20 0 GIADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Br)s1 ZINC000179470171 822487299 /nfs/dbraw/zinc/48/72/99/822487299.db2.gz JXGSTUDFWQIKAS-ZDUSSCGKSA-N 2 0 380.355 4.473 20 0 GIADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)CCCO2 ZINC000179511402 822493679 /nfs/dbraw/zinc/49/36/79/822493679.db2.gz RMMCTYPHPVVHGP-NRFANRHFSA-N 2 0 383.536 4.149 20 0 GIADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)c3nc4ccccc4n3C)CC2)cc1 ZINC000180072237 822609723 /nfs/dbraw/zinc/60/97/23/822609723.db2.gz BNJXLZUWJDHYLI-SFHVURJKSA-N 2 0 392.547 4.145 20 0 GIADRP C[N@H+](CCOc1cccc(C[NH2+][C@@H](c2ccccc2)C2CC2)c1)C1CCOCC1 ZINC000180088596 822612859 /nfs/dbraw/zinc/61/28/59/822612859.db2.gz SQBNBFFCRCJYIJ-VWLOTQADSA-N 2 0 394.559 4.417 20 0 GIADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(NC(N)=O)cc1 ZINC000180139631 822624538 /nfs/dbraw/zinc/62/45/38/822624538.db2.gz CMWVTLRGSQLJNK-OARUMGJZSA-N 2 0 378.520 4.023 20 0 GIADRP Cc1ccc(N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)nc1 ZINC000180149067 822626933 /nfs/dbraw/zinc/62/69/33/822626933.db2.gz ILUVKEYEXCTUPH-CWAQXLGLSA-N 2 0 390.575 4.144 20 0 GIADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1nc2ccc(Cl)cc2n1C ZINC000180158975 822629425 /nfs/dbraw/zinc/62/94/25/822629425.db2.gz NUUPQWNDKMAPLG-HNNXBMFYSA-N 2 0 383.927 4.189 20 0 GIADRP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC(c2ccccc2)c2ccccc2)CC1 ZINC000180245447 822647519 /nfs/dbraw/zinc/64/75/19/822647519.db2.gz GAJVJQVTCLAULE-RPBOFIJWSA-N 2 0 378.560 4.176 20 0 GIADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC(c2ccccc2)c2ccccc2)CC1 ZINC000180245506 822647600 /nfs/dbraw/zinc/64/76/00/822647600.db2.gz GAJVJQVTCLAULE-LOSJGSFVSA-N 2 0 378.560 4.176 20 0 GIADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000180415771 822677880 /nfs/dbraw/zinc/67/78/80/822677880.db2.gz AQXBOWZHBKQBHA-CQSZACIVSA-N 2 0 396.373 4.019 20 0 GIADRP C[C@@H](NCc1cccc(SC(=O)N(C)C)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180464345 822686857 /nfs/dbraw/zinc/68/68/57/822686857.db2.gz NSZUDDLNJLVYQC-AEFFLSMTSA-N 2 0 375.582 4.203 20 0 GIADRP C[C@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[C@@H](c1ccccc1)[NH+](C)C ZINC000455838564 822734816 /nfs/dbraw/zinc/73/48/16/822734816.db2.gz BUWQOQJTDBLMAP-SSKFGXFMSA-N 2 0 380.536 4.048 20 0 GIADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000455891568 822743400 /nfs/dbraw/zinc/74/34/00/822743400.db2.gz BUZPQGDGLCSLRX-DNVFCKCGSA-N 2 0 398.595 4.354 20 0 GIADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000455905323 822746064 /nfs/dbraw/zinc/74/60/64/822746064.db2.gz HFJDOSZIQNYJMA-SVMVAKDDSA-N 2 0 386.584 4.115 20 0 GIADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCC[N@H+](CC4CCCCC4)CC3)ccc21 ZINC000455918342 822749192 /nfs/dbraw/zinc/74/91/92/822749192.db2.gz LBUITSYMHYAXEH-HSZRJFAPSA-N 2 0 398.595 4.355 20 0 GIADRP Cc1ccc([C@@H](CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)[NH+]2CCCC2)o1 ZINC000455919608 822749446 /nfs/dbraw/zinc/74/94/46/822749446.db2.gz LIAFBLXUWIVDHP-LEWJYISDSA-N 2 0 396.535 4.096 20 0 GIADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC3CC[NH+](C4CCCCC4)CC3)ccc21 ZINC000455926828 822750805 /nfs/dbraw/zinc/75/08/05/822750805.db2.gz NMGRVOOGSDOASV-JOCHJYFZSA-N 2 0 384.568 4.154 20 0 GIADRP CC(=O)Nc1ccc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)cc1 ZINC000174450048 822791238 /nfs/dbraw/zinc/79/12/38/822791238.db2.gz XFMXNRDWGLJTSU-UHFFFAOYSA-N 2 0 377.488 4.160 20 0 GIADRP C[C@H]1C[C@H](N(C)C(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)CC[N@@H+]1C ZINC000174526060 822801026 /nfs/dbraw/zinc/80/10/26/822801026.db2.gz FJRYUAAHLVDCOK-GHTZIAJQSA-N 2 0 386.584 4.398 20 0 GIADRP C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)CC[N@@H+]1C ZINC000174526074 822801075 /nfs/dbraw/zinc/80/10/75/822801075.db2.gz FJRYUAAHLVDCOK-NQIIRXRSSA-N 2 0 386.584 4.398 20 0 GIADRP CCC(CC)(CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000174892149 822851571 /nfs/dbraw/zinc/85/15/71/822851571.db2.gz QOHVPQAFWCXFDD-SVFBPWRDSA-N 2 0 388.600 4.020 20 0 GIADRP Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H](C)CCN2CC[NH+](C)CC2)CCC3)cc1 ZINC000186575797 822916038 /nfs/dbraw/zinc/91/60/38/822916038.db2.gz IYOYVPXBVISHHY-ICSRJNTNSA-N 2 0 398.620 4.112 20 0 GIADRP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cncc(Br)c2)C1 ZINC000186590631 822918948 /nfs/dbraw/zinc/91/89/48/822918948.db2.gz KGWSZDKHVDHTLL-INIZCTEOSA-N 2 0 388.353 4.366 20 0 GIADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000186593816 822920199 /nfs/dbraw/zinc/92/01/99/822920199.db2.gz RNHXRWYYKQCJGO-VQTJNVASSA-N 2 0 399.554 4.081 20 0 GIADRP Cc1noc(C2CCC([NH2+]Cc3ccccc3C[NH+]3CCC(C)CC3)CC2)n1 ZINC000569764997 822965404 /nfs/dbraw/zinc/96/54/04/822965404.db2.gz FXMSVZYEJJRRKO-UHFFFAOYSA-N 2 0 382.552 4.426 20 0 GIADRP CN1c2ccc(C[NH2+]Cc3ccc(C[NH+]4CCCCCC4)cc3)cc2CCC1=O ZINC000187173269 823020552 /nfs/dbraw/zinc/02/05/52/823020552.db2.gz FJKJMDZBOGEYNR-UHFFFAOYSA-N 2 0 391.559 4.261 20 0 GIADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cc(-c3ccncc3)ccc2OC)c1 ZINC000187206905 823024698 /nfs/dbraw/zinc/02/46/98/823024698.db2.gz MMSCLUKJSQAFEM-UHFFFAOYSA-N 2 0 375.516 4.499 20 0 GIADRP Clc1ccc2nc(C[N@@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)cn2c1 ZINC000570351614 823028003 /nfs/dbraw/zinc/02/80/03/823028003.db2.gz SHCKCFHSSMQYLK-UHFFFAOYSA-N 2 0 394.950 4.476 20 0 GIADRP C[C@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000177937815 823548524 /nfs/dbraw/zinc/54/85/24/823548524.db2.gz MHYMIJDTZXNTMJ-BXKMTCNYSA-N 2 0 396.531 4.200 20 0 GIADRP CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411223546 823558484 /nfs/dbraw/zinc/55/84/84/823558484.db2.gz OQFGGGSBCUSJBX-FQEVSTJZSA-N 2 0 385.596 4.045 20 0 GIADRP COc1cccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000124146705 823571761 /nfs/dbraw/zinc/57/17/61/823571761.db2.gz GBECRIYIDPLKQL-HSZRJFAPSA-N 2 0 395.547 4.039 20 0 GIADRP C[N@@H+](Cc1ccc(-c2ncco2)cc1F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000411427539 823573006 /nfs/dbraw/zinc/57/30/06/823573006.db2.gz PAGYZFHPQRAZJZ-UHFFFAOYSA-N 2 0 380.467 4.224 20 0 GIADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2cccc(Cl)c2Cl)CC1 ZINC000061070210 823576689 /nfs/dbraw/zinc/57/66/89/823576689.db2.gz SGPLDXCXYJAWOT-UHFFFAOYSA-N 2 0 392.374 4.421 20 0 GIADRP CCc1oc2ccccc2c1C[NH2+]Cc1ccccc1CN1CC[NH+](CC)CC1 ZINC000061070239 823576773 /nfs/dbraw/zinc/57/67/73/823576773.db2.gz DEFIMTVOEKBDBM-UHFFFAOYSA-N 2 0 391.559 4.423 20 0 GIADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cccc(Cl)c3Cl)cc2)CC1 ZINC000061069988 823576787 /nfs/dbraw/zinc/57/67/87/823576787.db2.gz MZNYXDDFISHNTK-UHFFFAOYSA-N 2 0 392.374 4.421 20 0 GIADRP Cc1c2ccccc2oc1[C@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)C(C)C ZINC000411458590 823577003 /nfs/dbraw/zinc/57/70/03/823577003.db2.gz JQUCRHGVHJYNOE-JOCHJYFZSA-N 2 0 385.552 4.017 20 0 GIADRP C[C@H]([NH2+]CCC(=O)Nc1ccc(Cl)cc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411512318 823582853 /nfs/dbraw/zinc/58/28/53/823582853.db2.gz APIIFRVKQLFXCE-LSDHHAIUSA-N 2 0 381.923 4.050 20 0 GIADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCc1nc(-c2ccccc2)no1 ZINC000411535139 823585702 /nfs/dbraw/zinc/58/57/02/823585702.db2.gz QPIMNYYCPZDGFM-RTBURBONSA-N 2 0 390.531 4.025 20 0 GIADRP COC(=O)COc1ccc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000411536466 823585990 /nfs/dbraw/zinc/58/59/90/823585990.db2.gz BNQYRUXENSNDRW-IBGZPJMESA-N 2 0 396.531 4.075 20 0 GIADRP COc1ccccc1-c1ccc([C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000124379287 823591667 /nfs/dbraw/zinc/59/16/67/823591667.db2.gz OJPPKUHDZKYIMC-FQEVSTJZSA-N 2 0 395.591 4.286 20 0 GIADRP COc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c(OC)c1 ZINC000124640299 823613455 /nfs/dbraw/zinc/61/34/55/823613455.db2.gz GGFLXUCEOPKZAZ-QRVBRYPASA-N 2 0 398.547 4.164 20 0 GIADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1cccc(C[NH+]2CCCCC2)c1)c1ccco1 ZINC000412328624 823646722 /nfs/dbraw/zinc/64/67/22/823646722.db2.gz CKSMTBIXQYIVIJ-NQIIRXRSSA-N 2 0 383.536 4.125 20 0 GIADRP Cc1c([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cnn1C(C)C ZINC000191146654 823653696 /nfs/dbraw/zinc/65/36/96/823653696.db2.gz YQGMAKHIVURQPN-CEXWTWQISA-N 2 0 384.568 4.232 20 0 GIADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H]2c2cccc(Br)c2)CC1 ZINC000191456049 823687262 /nfs/dbraw/zinc/68/72/62/823687262.db2.gz SSKBJTYEVNBKAE-FQEVSTJZSA-N 2 0 394.401 4.002 20 0 GIADRP CC(C)[NH+]1CCN(CCC[N@H+]2Cc3ccccc3[C@H](c3ccccc3)C2)CC1 ZINC000191462088 823687709 /nfs/dbraw/zinc/68/77/09/823687709.db2.gz ODZGVDWVIMBGFN-VWLOTQADSA-N 2 0 377.576 4.050 20 0 GIADRP CC(C)[NH+]1CCC([NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)CC1 ZINC000191528653 823695973 /nfs/dbraw/zinc/69/59/73/823695973.db2.gz VDANUGMIGDUEDH-FQEVSTJZSA-N 2 0 395.385 4.379 20 0 GIADRP CCC[NH+]1CCC([NH2+]C[C@@H](c2ccccc2)N2CCc3sccc3C2)CC1 ZINC000461794418 823696293 /nfs/dbraw/zinc/69/62/93/823696293.db2.gz ARUGKDSZTAPYCS-QFIPXVFZSA-N 2 0 383.605 4.312 20 0 GIADRP CC[NH+](CC)CCSCC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000461867351 823728596 /nfs/dbraw/zinc/72/85/96/823728596.db2.gz QIMKUSQAGWYOPZ-SFHVURJKSA-N 2 0 377.598 4.075 20 0 GIADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000125892626 823738592 /nfs/dbraw/zinc/73/85/92/823738592.db2.gz USRITFRAJQVEDU-YOEHRIQHSA-N 2 0 387.490 4.379 20 0 GIADRP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)cc1 ZINC000163972410 823767504 /nfs/dbraw/zinc/76/75/04/823767504.db2.gz IJXJLDAPNUTAQW-HXUWFJFHSA-N 2 0 382.548 4.335 20 0 GIADRP CCC[NH+]1CCC([NH2+][C@H](Cc2ccc(OC)c(OC)c2)c2ccccc2)CC1 ZINC000462037545 823806709 /nfs/dbraw/zinc/80/67/09/823806709.db2.gz IFVVNFWNSUAIDR-JOCHJYFZSA-N 2 0 382.548 4.452 20 0 GIADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000574712767 823806727 /nfs/dbraw/zinc/80/67/27/823806727.db2.gz VOZAGGYGYUTZHY-UHFFFAOYSA-N 2 0 397.538 4.016 20 0 GIADRP C[N@@H+]1CCC[C@@H](CNC2CC[NH+](CCc3ccccc3)CC2)[C@@H]1c1cccs1 ZINC000164963808 823827333 /nfs/dbraw/zinc/82/73/33/823827333.db2.gz HMHQZGCAAHZEQE-XUZZJYLKSA-N 2 0 397.632 4.428 20 0 GIADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc2c(c1)OCCCO2 ZINC000165307842 823843194 /nfs/dbraw/zinc/84/31/94/823843194.db2.gz RUHKPYIXYSRTEF-PZJWPPBQSA-N 2 0 380.532 4.063 20 0 GIADRP C[C@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000165350399 823845054 /nfs/dbraw/zinc/84/50/54/823845054.db2.gz DTABFFUPOCBUMH-IBGZPJMESA-N 2 0 399.554 4.081 20 0 GIADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](c3ncc[nH]3)c3ccccc3)CC2)cc1 ZINC000126412472 823860378 /nfs/dbraw/zinc/86/03/78/823860378.db2.gz SAFCHCWKESSRDQ-QHCPKHFHSA-N 2 0 390.531 4.010 20 0 GIADRP CSCc1cc(F)ccc1C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000167106564 823886385 /nfs/dbraw/zinc/88/63/85/823886385.db2.gz DIBRCQHRKIMKPP-INIZCTEOSA-N 2 0 376.541 4.480 20 0 GIADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000167901808 823898327 /nfs/dbraw/zinc/89/83/27/823898327.db2.gz FXVFFSKSURWXPG-SXGZJXTBSA-N 2 0 384.395 4.276 20 0 GIADRP CC[C@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[N@H+](C)Cc1ccccc1 ZINC000575066622 823903344 /nfs/dbraw/zinc/90/33/44/823903344.db2.gz ZZXMUHDFBBAMJS-JOCHJYFZSA-N 2 0 397.588 4.085 20 0 GIADRP Clc1ccc([C@@H]2CCC[C@H]([NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)C2)cc1 ZINC000414081595 823904453 /nfs/dbraw/zinc/90/44/53/823904453.db2.gz FEBSMFCWTDVECE-KPLVRAHFSA-N 2 0 376.972 4.457 20 0 GIADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414087764 823906688 /nfs/dbraw/zinc/90/66/88/823906688.db2.gz IQMKFPNHNACWAH-KDXIVRHGSA-N 2 0 376.972 4.334 20 0 GIADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1)C(C)C ZINC000126602000 823908977 /nfs/dbraw/zinc/90/89/77/823908977.db2.gz UHAXZFHRWGNSJW-GGAORHGYSA-N 2 0 383.580 4.006 20 0 GIADRP COc1ccc(C[C@H](C)[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)cn1 ZINC000414108304 823911874 /nfs/dbraw/zinc/91/18/74/823911874.db2.gz GFDAXRFAWKCVKG-SFHVURJKSA-N 2 0 379.504 4.036 20 0 GIADRP CCc1nc(C)c([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)s1 ZINC000126667368 823922593 /nfs/dbraw/zinc/92/25/93/823922593.db2.gz DGTICNVRWOSCBW-CABCVRRESA-N 2 0 390.572 4.317 20 0 GIADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000414199015 823927183 /nfs/dbraw/zinc/92/71/83/823927183.db2.gz XCAYNXWRKGEHOX-VQTJNVASSA-N 2 0 392.547 4.296 20 0 GIADRP CCOc1cccc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c1 ZINC000126708272 823932553 /nfs/dbraw/zinc/93/25/53/823932553.db2.gz XJXOZWQNZLYTDX-QZTJIDSGSA-N 2 0 385.527 4.388 20 0 GIADRP COc1cc([C@@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)ccc1SC ZINC000126723308 823936039 /nfs/dbraw/zinc/93/60/39/823936039.db2.gz OYXKGIAHISRGJJ-GOSISDBHSA-N 2 0 399.604 4.015 20 0 GIADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000414293129 823953141 /nfs/dbraw/zinc/95/31/41/823953141.db2.gz VKHJPYMZHAVPSH-UHFFFAOYSA-N 2 0 380.511 4.450 20 0 GIADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(-c2ccc(Cl)cc2F)s1 ZINC000575787918 823995948 /nfs/dbraw/zinc/99/59/48/823995948.db2.gz INLQHJRJCGRKTH-CYBMUJFWSA-N 2 0 382.932 4.315 20 0 GIADRP CC[NH+]1CCN(CCCC[NH2+]Cc2c(Cl)cccc2SC(C)C)CC1 ZINC000192472554 824004567 /nfs/dbraw/zinc/00/45/67/824004567.db2.gz UMQSIPJYYGZRSA-UHFFFAOYSA-N 2 0 384.033 4.348 20 0 GIADRP C[N@H+](Cc1ccccc1NC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)C1CCCCC1 ZINC000414714577 824025711 /nfs/dbraw/zinc/02/57/11/824025711.db2.gz QJDMPLYMSGQOIG-WOJBJXKFSA-N 2 0 398.595 4.305 20 0 GIADRP Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000414832569 824040444 /nfs/dbraw/zinc/04/04/44/824040444.db2.gz QUBRLFCVVONEHJ-WCRBZPEASA-N 2 0 376.479 4.051 20 0 GIADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000414966223 824054744 /nfs/dbraw/zinc/05/47/44/824054744.db2.gz OGTDZCWQJAZHJQ-FYYLOGMGSA-N 2 0 398.595 4.101 20 0 GIADRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000120792338 823065005 /nfs/dbraw/zinc/06/50/05/823065005.db2.gz KIYWUWMQXMEPCK-IBGZPJMESA-N 2 0 380.561 4.091 20 0 GIADRP C[NH+](C)Cc1cc(C[NH2+][C@H]2CCOc3c(Br)cccc32)ccc1F ZINC000120822673 823071402 /nfs/dbraw/zinc/07/14/02/823071402.db2.gz HBZGUZBVJKOENW-SFHVURJKSA-N 2 0 393.300 4.263 20 0 GIADRP COC[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cccc(C(F)(F)F)c1 ZINC000120933920 823088977 /nfs/dbraw/zinc/08/89/77/823088977.db2.gz QNPMZMGDNPVVCR-IBGZPJMESA-N 2 0 384.417 4.383 20 0 GIADRP C[N@H+](Cc1ccccc1CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)C1CCCCC1 ZINC000570811509 823090736 /nfs/dbraw/zinc/09/07/36/823090736.db2.gz FSABGQQKMOJFCT-UHFFFAOYSA-N 2 0 392.547 4.376 20 0 GIADRP COc1ccccc1NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000056154997 823091025 /nfs/dbraw/zinc/09/10/25/823091025.db2.gz MSVNWRNJGKNWPL-LJQANCHMSA-N 2 0 395.547 4.044 20 0 GIADRP CCC(CC)[C@@H](NC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1)c1ccccc1 ZINC000570939055 823110094 /nfs/dbraw/zinc/11/00/94/823110094.db2.gz CFMLAMKMUWGZIB-XMMPIXPASA-N 2 0 399.623 4.476 20 0 GIADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000121090219 823116671 /nfs/dbraw/zinc/11/66/71/823116671.db2.gz QIHDPMFJFOFZPN-CQSZACIVSA-N 2 0 385.474 4.275 20 0 GIADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000121106852 823119973 /nfs/dbraw/zinc/11/99/73/823119973.db2.gz ZMFWRQMJPKOHSX-JKSUJKDBSA-N 2 0 385.474 4.134 20 0 GIADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](O)COC(c2ccccc2)c2ccccc2)CC1 ZINC000571039772 823124102 /nfs/dbraw/zinc/12/41/02/823124102.db2.gz JTCUZFLLJRBWIR-QHCPKHFHSA-N 2 0 396.575 4.006 20 0 GIADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(-c3ccccc3OC)cc2)CC1 ZINC000121185269 823134436 /nfs/dbraw/zinc/13/44/36/823134436.db2.gz RNSVPIWRBOYHBJ-NHCUHLMSSA-N 2 0 395.591 4.286 20 0 GIADRP C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c2sccc21 ZINC000571137467 823139370 /nfs/dbraw/zinc/13/93/70/823139370.db2.gz QKIIVIZGCRMCGN-OZOXKJRCSA-N 2 0 397.588 4.174 20 0 GIADRP c1c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(-c2ccccn2)nn1C1CCCC1 ZINC000459294621 823157621 /nfs/dbraw/zinc/15/76/21/823157621.db2.gz HEIKXFPLOZNFSK-UHFFFAOYSA-N 2 0 393.579 4.368 20 0 GIADRP O=C(CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)Nc1ccc(Cl)cc1 ZINC000571391576 823176563 /nfs/dbraw/zinc/17/65/63/823176563.db2.gz FZPZYXBEDNUASF-SFHVURJKSA-N 2 0 377.960 4.257 20 0 GIADRP c1ccc(CC2CC[NH+](CCCC[NH2+]Cc3cnc(C4CC4)nc3)CC2)cc1 ZINC000459401200 823184496 /nfs/dbraw/zinc/18/44/96/823184496.db2.gz INTMRGLJELIAKC-UHFFFAOYSA-N 2 0 378.564 4.179 20 0 GIADRP COc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1OC1CCCC1 ZINC000459408867 823186457 /nfs/dbraw/zinc/18/64/57/823186457.db2.gz QTDHNDROEUXFSG-UHFFFAOYSA-N 2 0 381.520 4.170 20 0 GIADRP CCC[NH+]1CCC(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000459412171 823187375 /nfs/dbraw/zinc/18/73/75/823187375.db2.gz RBKVPTYLVNCBFG-UHFFFAOYSA-N 2 0 381.568 4.272 20 0 GIADRP C[NH+](C)CCC1CC[NH+](Cc2ncc(-c3ccccc3Br)o2)CC1 ZINC000121628630 823218728 /nfs/dbraw/zinc/21/87/28/823218728.db2.gz YQYAIWSLBWGXNZ-UHFFFAOYSA-N 2 0 392.341 4.268 20 0 GIADRP c1cncc(CN2CCC([NH2+]Cc3ccc(C[NH+]4CCCCCC4)cc3)CC2)c1 ZINC000121656839 823223792 /nfs/dbraw/zinc/22/37/92/823223792.db2.gz HOYSQSQZIQHYCW-UHFFFAOYSA-N 2 0 392.591 4.212 20 0 GIADRP CC[NH+]1CCC(CC[NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000121684243 823230143 /nfs/dbraw/zinc/23/01/43/823230143.db2.gz SIPKZSMZKICSTG-HNNXBMFYSA-N 2 0 385.474 4.134 20 0 GIADRP COCCNc1ccc(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000571891283 823250444 /nfs/dbraw/zinc/25/04/44/823250444.db2.gz RZVAKZIKLXGHHM-UHFFFAOYSA-N 2 0 381.564 4.278 20 0 GIADRP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccccc1-n1cccn1 ZINC000121821520 823257688 /nfs/dbraw/zinc/25/76/88/823257688.db2.gz UZSCWHQSCDGPIZ-RBUKOAKNSA-N 2 0 378.520 4.225 20 0 GIADRP C[C@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000121821208 823257738 /nfs/dbraw/zinc/25/77/38/823257738.db2.gz UZSCWHQSCDGPIZ-OALUTQOASA-N 2 0 378.520 4.225 20 0 GIADRP C[C@@H]([NH2+][C@H](C)c1ccccc1-n1cccn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000121821668 823257809 /nfs/dbraw/zinc/25/78/09/823257809.db2.gz UZSCWHQSCDGPIZ-RTBURBONSA-N 2 0 378.520 4.225 20 0 GIADRP O=C(c1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1)N1CCCC1 ZINC000122022142 823294560 /nfs/dbraw/zinc/29/45/60/823294560.db2.gz HESHNFPNNJPWON-UHFFFAOYSA-N 2 0 383.580 4.011 20 0 GIADRP O=C(Nc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1)c1ccc(F)cc1 ZINC000572272300 823311023 /nfs/dbraw/zinc/31/10/23/823311023.db2.gz CLVUFHURZJHCGH-BHDDXSALSA-N 2 0 381.495 4.088 20 0 GIADRP [NH3+]Cc1ccc(C[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)cc1 ZINC000572364130 823327658 /nfs/dbraw/zinc/32/76/58/823327658.db2.gz URNZLCVBQCAGKP-UHFFFAOYSA-N 2 0 389.215 4.096 20 0 GIADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000122289730 823333140 /nfs/dbraw/zinc/33/31/40/823333140.db2.gz WRZWXZWMTACZMS-LJQANCHMSA-N 2 0 389.337 4.167 20 0 GIADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(SC)c(OC)c2)[C@H](C)C1 ZINC000122314220 823336739 /nfs/dbraw/zinc/33/67/39/823336739.db2.gz GMCRPYQFVJBIBY-AOIWGVFYSA-N 2 0 380.598 4.205 20 0 GIADRP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(C)c1OC ZINC000572519095 823352995 /nfs/dbraw/zinc/35/29/95/823352995.db2.gz YRUKJLOSMQXLPI-FRIKZZABSA-N 2 0 380.532 4.297 20 0 GIADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000189398249 823408290 /nfs/dbraw/zinc/40/82/90/823408290.db2.gz VRFGHJCTRYUMRO-LJQANCHMSA-N 2 0 398.856 4.215 20 0 GIADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CSc2ccc(Br)cc21 ZINC000573082246 823445247 /nfs/dbraw/zinc/44/52/47/823445247.db2.gz BNYHBUOVSCHMDA-BDJLRTHQSA-N 2 0 378.339 4.109 20 0 GIADRP COc1ccc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cc1NC(C)=O ZINC000123049335 823453425 /nfs/dbraw/zinc/45/34/25/823453425.db2.gz SNCCPQICVQTRFM-KRWDZBQOSA-N 2 0 381.520 4.100 20 0 GIADRP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000573170684 823459397 /nfs/dbraw/zinc/45/93/97/823459397.db2.gz HRKTWNCUHKIDPL-RBBKRZOGSA-N 2 0 389.547 4.220 20 0 GIADRP Cc1cccc2oc(CC[NH2+][C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)nc21 ZINC000410356301 823472087 /nfs/dbraw/zinc/47/20/87/823472087.db2.gz BHYISUYSCPTPFU-PCCBWWKXSA-N 2 0 375.516 4.179 20 0 GIADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)NCc1ccccc1Cl ZINC000028899394 820370175 /nfs/dbraw/zinc/37/01/75/820370175.db2.gz RCXQFJFCCKFPMO-SFHVURJKSA-N 2 0 399.966 4.120 20 0 GIADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000123204755 823478263 /nfs/dbraw/zinc/47/82/63/823478263.db2.gz ZRASCTXTJDTBOI-UHFFFAOYSA-N 2 0 382.552 4.124 20 0 GIADRP Cc1ccccc1NC(=O)CC[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000189948013 823516962 /nfs/dbraw/zinc/51/69/62/823516962.db2.gz OHLDGNPUXFYAFN-PMACEKPBSA-N 2 0 379.548 4.070 20 0 GIADRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cccc(-c2ccccc2)c1 ZINC000177825609 823531696 /nfs/dbraw/zinc/53/16/96/823531696.db2.gz HLZNZMCGSBZEIB-HXUWFJFHSA-N 2 0 386.543 4.351 20 0 GIADRP CC1CC[NH+](C2CCC([NH2+]C3CCC(NC(=O)OC(C)(C)C)CC3)CC2)CC1 ZINC000180853734 821496261 /nfs/dbraw/zinc/49/62/61/821496261.db2.gz NOXLVKLULQJCAD-UHFFFAOYSA-N 2 0 393.616 4.455 20 0 GIADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCc3nc(-c4ccccn4)cs3)CC2)C1 ZINC000181012342 821592924 /nfs/dbraw/zinc/59/29/24/821592924.db2.gz HBPUOORNXZGPFD-PKOBYXMFSA-N 2 0 384.593 4.380 20 0 GIADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(SC(F)F)cc1 ZINC000181415888 821814207 /nfs/dbraw/zinc/81/42/07/821814207.db2.gz MDEKSMWPZFHLCD-JVPBZIDWSA-N 2 0 384.536 4.420 20 0 GIADRP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000181516416 821863086 /nfs/dbraw/zinc/86/30/86/821863086.db2.gz MBJBQQRQDIDJCT-SFHVURJKSA-N 2 0 392.547 4.301 20 0 GIADRP C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1cccc(N2CCOC2=O)c1 ZINC000181665097 821931988 /nfs/dbraw/zinc/93/19/88/821931988.db2.gz XJDYEGGRYOICRM-KMFTYDHNSA-N 2 0 385.552 4.337 20 0 GIADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000182225549 822155609 /nfs/dbraw/zinc/15/56/09/822155609.db2.gz HJOYLKGJFKXUHW-WIYYLYMNSA-N 2 0 386.536 4.109 20 0 GIADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc2ccccc2n1 ZINC000182243333 822164231 /nfs/dbraw/zinc/16/42/31/822164231.db2.gz QEHKIWGTKRFSAA-PGRDOPGGSA-N 2 0 375.516 4.042 20 0 GIADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(SC(F)F)cc1 ZINC000182266098 822178009 /nfs/dbraw/zinc/17/80/09/822178009.db2.gz FAGIFOSGXFLFMA-KXBFYZLASA-N 2 0 392.515 4.419 20 0 GIADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(-c2ccccc2)o1 ZINC000182266740 822178022 /nfs/dbraw/zinc/17/80/22/822178022.db2.gz FGFCNFPNWRQAFK-GCJKJVERSA-N 2 0 376.500 4.364 20 0 GIADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(Cl)c1Cl ZINC000182269321 822180618 /nfs/dbraw/zinc/18/06/18/822180618.db2.gz LMTFXENDFZALSA-YOEHRIQHSA-N 2 0 379.331 4.411 20 0 GIADRP COc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)cc1C[NH+]1CCCCC1 ZINC000182285365 822186556 /nfs/dbraw/zinc/18/65/56/822186556.db2.gz XBFNZTLRSKVWEQ-VGSWGCGISA-N 2 0 386.511 4.204 20 0 GIADRP COc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(OC)c(C[NH+]3CCCCC3)c2)cc1 ZINC000182286788 822188029 /nfs/dbraw/zinc/18/80/29/822188029.db2.gz BUYWJVSMKBQIDM-FDDCHVKYSA-N 2 0 398.547 4.074 20 0 GIADRP CC[NH+](CC)Cc1cc([C@H](C)NC2CC[NH+](CC(C)C)CC2)ccc1OC ZINC000182312881 822199096 /nfs/dbraw/zinc/19/90/96/822199096.db2.gz VVEDDZWLQDXSIW-IBGZPJMESA-N 2 0 375.601 4.308 20 0 GIADRP CCCOc1ccc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000178307339 822365785 /nfs/dbraw/zinc/36/57/85/822365785.db2.gz RYXJZLUYPAMASG-IBGZPJMESA-N 2 0 382.548 4.283 20 0 GIADRP C[C@@H](Nc1cccc(C[NH+]2CCSCC2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000182804304 822370315 /nfs/dbraw/zinc/37/03/15/822370315.db2.gz LGFXGYCTPDNEDD-LJQANCHMSA-N 2 0 399.604 4.349 20 0 GIADRP CC(C)C(=O)Nc1ccc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000178477901 822383185 /nfs/dbraw/zinc/38/31/85/822383185.db2.gz XLKQOCXDIVCCOM-GOSISDBHSA-N 2 0 383.536 4.072 20 0 GIADRP C[N@H+](CCCC[NH2+]Cc1cccc(Br)c1OC(F)F)C1CC1 ZINC000453601653 822391315 /nfs/dbraw/zinc/39/13/15/822391315.db2.gz UXIGBQDIRNLJFO-UHFFFAOYSA-N 2 0 377.273 4.015 20 0 GIADRP c1cc(-c2nc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)cs2)cs1 ZINC000182951093 822398777 /nfs/dbraw/zinc/39/87/77/822398777.db2.gz OCQOZIWLZRTUFH-UHFFFAOYSA-N 2 0 391.606 4.196 20 0 GIADRP C[C@H]([NH2+]Cc1ccc(Br)s1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178713223 822405127 /nfs/dbraw/zinc/40/51/27/822405127.db2.gz GYPOLESGENOPBD-ZDUSSCGKSA-N 2 0 383.355 4.302 20 0 GIADRP C[C@@H]([NH2+]Cc1ccc(OCc2ccccn2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183101505 822424525 /nfs/dbraw/zinc/42/45/25/822424525.db2.gz DJMKOMBEJBSSBG-TZIWHRDSSA-N 2 0 379.548 4.403 20 0 GIADRP CC(=O)Nc1ccc(CC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000183137671 822429324 /nfs/dbraw/zinc/42/93/24/822429324.db2.gz NBJUZUHOLGVOBS-PZUNEJSGSA-N 2 0 391.559 4.078 20 0 GIADRP C[C@H](c1nnc(-c2ccccc2)o1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179388471 822475587 /nfs/dbraw/zinc/47/55/87/822475587.db2.gz YVXMVUFSTLBKEE-GOSISDBHSA-N 2 0 391.519 4.431 20 0 GIADRP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000179509456 822493448 /nfs/dbraw/zinc/49/34/48/822493448.db2.gz FRTAHBKEFRPGHZ-MRXNPFEDSA-N 2 0 396.560 4.305 20 0 GIADRP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(SC(F)F)cc1 ZINC000179510644 822493648 /nfs/dbraw/zinc/49/36/48/822493648.db2.gz QRRCFBVNFFWECQ-AWEZNQCLSA-N 2 0 381.492 4.188 20 0 GIADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000183863393 822537761 /nfs/dbraw/zinc/53/77/61/822537761.db2.gz UMRJUFOZPNZVEZ-PKOBYXMFSA-N 2 0 395.341 4.078 20 0 GIADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000180072596 822609769 /nfs/dbraw/zinc/60/97/69/822609769.db2.gz NGKAAJWUXNSRNG-LJQANCHMSA-N 2 0 389.337 4.167 20 0 GIADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)cc1 ZINC000180179987 822633557 /nfs/dbraw/zinc/63/35/57/822633557.db2.gz ZJEWECFVNYQKCM-HSZRJFAPSA-N 2 0 397.538 4.138 20 0 GIADRP COc1ccccc1[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)C1CCCC1 ZINC000180210593 822639997 /nfs/dbraw/zinc/63/99/97/822639997.db2.gz NYGATGGCMPEQED-HSZRJFAPSA-N 2 0 383.536 4.052 20 0 GIADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)cc1 ZINC000048742338 822680765 /nfs/dbraw/zinc/68/07/65/822680765.db2.gz JNTVPOXEALCFRS-UHFFFAOYSA-N 2 0 395.478 4.243 20 0 GIADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccco1 ZINC000455836249 822734312 /nfs/dbraw/zinc/73/43/12/822734312.db2.gz AVAWOKXJQIQUSF-RYGJVYDSSA-N 2 0 384.524 4.079 20 0 GIADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N[C@H](C[NH+]3CCCC3)c3ccccc3)ccc21 ZINC000455899046 822744745 /nfs/dbraw/zinc/74/47/45/822744745.db2.gz FIGMIYFFNQXPHL-DHIUTWEWSA-N 2 0 392.547 4.194 20 0 GIADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000174452419 822791749 /nfs/dbraw/zinc/79/17/49/822791749.db2.gz JFIQPYGOWYODPZ-UHFFFAOYSA-N 2 0 387.483 4.455 20 0 GIADRP C[C@@H]1C[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC[N@@H+]1C ZINC000174516960 822799880 /nfs/dbraw/zinc/79/98/80/822799880.db2.gz BJGZHSHSGRNPJF-UTKZUKDTSA-N 2 0 378.495 4.251 20 0 GIADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Br)cc1O ZINC000185870340 822828683 /nfs/dbraw/zinc/82/86/83/822828683.db2.gz FHRRFRREGUXNDW-AWEZNQCLSA-N 2 0 390.325 4.117 20 0 GIADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000185892576 822830517 /nfs/dbraw/zinc/83/05/17/822830517.db2.gz JKPRQGFVMBFCAT-UHFFFAOYSA-N 2 0 375.557 4.060 20 0 GIADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000456791163 822831370 /nfs/dbraw/zinc/83/13/70/822831370.db2.gz MVYJQKNYUJFTHX-MRXNPFEDSA-N 2 0 393.959 4.016 20 0 GIADRP COc1ccc(C2CCC([NH2+]Cc3ccncc3OCCC[NH+](C)C)CC2)cc1 ZINC000569030767 822871329 /nfs/dbraw/zinc/87/13/29/822871329.db2.gz LVNWYVQSFKOXKD-UHFFFAOYSA-N 2 0 397.563 4.237 20 0 GIADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000186593801 822920075 /nfs/dbraw/zinc/92/00/75/822920075.db2.gz RNHXRWYYKQCJGO-UXHICEINSA-N 2 0 399.554 4.081 20 0 GIADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1cccc(-n2ccnn2)c1 ZINC000569836627 822974254 /nfs/dbraw/zinc/97/42/54/822974254.db2.gz XHTVQZRZWKWBML-WOJBJXKFSA-N 2 0 389.547 4.493 20 0 GIADRP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000569928282 822986884 /nfs/dbraw/zinc/98/68/84/822986884.db2.gz AHBODLRVVJNTRQ-BMFZPTHFSA-N 2 0 394.441 4.138 20 0 GIADRP O=C(Nc1ccc(F)cc1)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000570153477 823010920 /nfs/dbraw/zinc/01/09/20/823010920.db2.gz HOJPKWJSFKPVJD-BHDDXSALSA-N 2 0 381.495 4.088 20 0 GIADRP COc1ccc(-c2ccncc2)cc1C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000187243382 823029470 /nfs/dbraw/zinc/02/94/70/823029470.db2.gz PXHINAZNFWHLMW-UHFFFAOYSA-N 2 0 379.479 4.248 20 0 GIADRP COc1ccc([C@H](Cc2ccccc2)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000570369535 823030163 /nfs/dbraw/zinc/03/01/63/823030163.db2.gz RNKKHVNKUOKKNY-OFVILXPXSA-N 2 0 394.559 4.070 20 0 GIADRP O=C(NC1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1)c1ccccc1 ZINC000411146197 823551587 /nfs/dbraw/zinc/55/15/87/823551587.db2.gz NALBJVJJGGWQNO-UHFFFAOYSA-N 2 0 391.559 4.067 20 0 GIADRP c1ccn2c(c1)nnc2[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411281654 823561992 /nfs/dbraw/zinc/56/19/92/823561992.db2.gz ASJFYNBPRNZHRH-QFIPXVFZSA-N 2 0 389.547 4.095 20 0 GIADRP CC(C)n1cnnc1[C@@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411380358 823567648 /nfs/dbraw/zinc/56/76/48/823567648.db2.gz ANVOVELRQFZMFG-JOCHJYFZSA-N 2 0 381.568 4.225 20 0 GIADRP CC(C)n1cnnc1[C@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411380359 823567674 /nfs/dbraw/zinc/56/76/74/823567674.db2.gz ANVOVELRQFZMFG-QFIPXVFZSA-N 2 0 381.568 4.225 20 0 GIADRP CC[C@@H](C)[C@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1ccc(Cl)cc1 ZINC000411469073 823578481 /nfs/dbraw/zinc/57/84/81/823578481.db2.gz FMDOTQPCUUNTBI-IERDGZPVSA-N 2 0 379.976 4.006 20 0 GIADRP CC(C)[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1nnc2ccccn21 ZINC000411490564 823580975 /nfs/dbraw/zinc/58/09/75/823580975.db2.gz OJRWDBLHNLHMTH-JOCHJYFZSA-N 2 0 377.536 4.202 20 0 GIADRP C[C@@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411514426 823583103 /nfs/dbraw/zinc/58/31/03/823583103.db2.gz GBQQNKZWTJPOLB-NVXWUHKLSA-N 2 0 388.943 4.175 20 0 GIADRP CC(CC[NH+]1CCC2(CCOCC2)[C@@H]1C)CC[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000411523140 823584528 /nfs/dbraw/zinc/58/45/28/823584528.db2.gz GRNFTMBWNHVENH-VXKWHMMOSA-N 2 0 392.628 4.185 20 0 GIADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCc1nc(-c2ccccc2)no1 ZINC000411535137 823585786 /nfs/dbraw/zinc/58/57/86/823585786.db2.gz QPIMNYYCPZDGFM-OALUTQOASA-N 2 0 390.531 4.025 20 0 GIADRP CSc1ccccc1NC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000411547333 823587210 /nfs/dbraw/zinc/58/72/10/823587210.db2.gz BZCRUXBCZVNLEX-AZUAARDMSA-N 2 0 397.588 4.237 20 0 GIADRP COC(=O)COc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000411547486 823587342 /nfs/dbraw/zinc/58/73/42/823587342.db2.gz VKTWXYOQKNXGDO-LJQANCHMSA-N 2 0 396.531 4.075 20 0 GIADRP Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411706705 823598361 /nfs/dbraw/zinc/59/83/61/823598361.db2.gz YCVMHVXTRGJNKW-PKTZIBPZSA-N 2 0 376.548 4.226 20 0 GIADRP COc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c(F)c1 ZINC000124579779 823608228 /nfs/dbraw/zinc/60/82/28/823608228.db2.gz HRPXGDZEFRKCCJ-BZSNNMDCSA-N 2 0 386.511 4.294 20 0 GIADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc1)CC2 ZINC000124598157 823609776 /nfs/dbraw/zinc/60/97/76/823609776.db2.gz LPOGVIBEROBEGJ-NXMSCROESA-N 2 0 380.532 4.082 20 0 GIADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]C3CCN(c4ccccc4)CC3)cc2)C[C@@H](C)O1 ZINC000124622217 823612001 /nfs/dbraw/zinc/61/20/01/823612001.db2.gz WNBCIVPHVBOZCM-NHCUHLMSSA-N 2 0 393.575 4.054 20 0 GIADRP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1cccc(N2CCOC2=O)c1 ZINC000125480472 823679568 /nfs/dbraw/zinc/67/95/68/823679568.db2.gz IPEIFROQDXYTFA-KRWDZBQOSA-N 2 0 399.560 4.268 20 0 GIADRP CCCOc1ccc(Oc2ncccc2C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000163389737 823705806 /nfs/dbraw/zinc/70/58/06/823705806.db2.gz ZPUDFXZVXWNSOU-SFHVURJKSA-N 2 0 383.536 4.483 20 0 GIADRP Clc1ccc(CN2CCC([NH2+]C3CC[NH+](C4CCCC4)CC3)CC2)cc1 ZINC000163595153 823726677 /nfs/dbraw/zinc/72/66/77/823726677.db2.gz MRDZNCLCWXHACR-UHFFFAOYSA-N 2 0 375.988 4.301 20 0 GIADRP COCOc1ccc(OC)cc1C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000163677734 823736111 /nfs/dbraw/zinc/73/61/11/823736111.db2.gz HDXAZZVEJVDBEM-LJQANCHMSA-N 2 0 398.547 4.200 20 0 GIADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000125892832 823738826 /nfs/dbraw/zinc/73/88/26/823738826.db2.gz USRITFRAJQVEDU-PBHICJAKSA-N 2 0 387.490 4.379 20 0 GIADRP Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C3CCOCC3)c1)CC2 ZINC000163966746 823766629 /nfs/dbraw/zinc/76/66/29/823766629.db2.gz JDDNVGWGCSLEPD-RUZDIDTESA-N 2 0 394.559 4.262 20 0 GIADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000164011882 823770364 /nfs/dbraw/zinc/77/03/64/823770364.db2.gz UYECRGMWXBZANJ-NRFANRHFSA-N 3 0 395.591 4.464 20 0 GIADRP C/C=C\COc1ccc(CC[C@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)cc1 ZINC000574646283 823789805 /nfs/dbraw/zinc/78/98/05/823789805.db2.gz GVPITOPHHQZMML-VOFKWLDRSA-N 2 0 376.610 4.380 20 0 GIADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2cc(Br)ccc2OC(F)F)c1 ZINC000126153998 823801447 /nfs/dbraw/zinc/80/14/47/823801447.db2.gz OZYODAVRTQMUGS-UHFFFAOYSA-N 2 0 399.279 4.402 20 0 GIADRP Clc1ccc2c(c1)C[C@@H]([NH2+]CCCOC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000462108448 823830331 /nfs/dbraw/zinc/83/03/31/823830331.db2.gz AOVFORWZPNEOBQ-QHCPKHFHSA-N 2 0 398.978 4.468 20 0 GIADRP CC[NH+]1CCC(NC[C@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000462113588 823832157 /nfs/dbraw/zinc/83/21/57/823832157.db2.gz TXZJOQITIGZSBF-YLJYHZDGSA-N 2 0 383.502 4.162 20 0 GIADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)CCCO2 ZINC000165163060 823837035 /nfs/dbraw/zinc/83/70/35/823837035.db2.gz UBGLTAXIXAAEHC-JOCHJYFZSA-N 2 0 384.520 4.029 20 0 GIADRP C[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc2c(c1)OCCCO2 ZINC000165307949 823843519 /nfs/dbraw/zinc/84/35/19/823843519.db2.gz RUHKPYIXYSRTEF-TZIWHRDSSA-N 2 0 380.532 4.063 20 0 GIADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1sc(-c2ccccc2F)nc1C ZINC000165951333 823867007 /nfs/dbraw/zinc/86/70/07/823867007.db2.gz ZGAAOVIESHAUCD-GOEBONIOSA-N 2 0 379.545 4.265 20 0 GIADRP CC(C)c1cccc2c1OCC[C@H]2[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000166783396 823883040 /nfs/dbraw/zinc/88/30/40/823883040.db2.gz NDJUMCUTDRUXPF-XMMPIXPASA-N 2 0 394.559 4.380 20 0 GIADRP CC(C)[NH+]1CCC([NH2+]C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000167904866 823898098 /nfs/dbraw/zinc/89/80/98/823898098.db2.gz MFRYVSBHYSSLNL-UHFFFAOYSA-N 2 0 384.395 4.420 20 0 GIADRP CCc1nc(C)c([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)s1 ZINC000126667125 823922643 /nfs/dbraw/zinc/92/26/43/823922643.db2.gz DGTICNVRWOSCBW-HUUCEWRRSA-N 2 0 390.572 4.317 20 0 GIADRP C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cc(F)c(F)c(F)c1 ZINC000126705618 823931667 /nfs/dbraw/zinc/93/16/67/823931667.db2.gz CGYOFEOGPWLCBJ-ZIAGYGMSSA-N 2 0 395.444 4.407 20 0 GIADRP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccnc(Cl)c1 ZINC000126718869 823934673 /nfs/dbraw/zinc/93/46/73/823934673.db2.gz ZSWHRQJMAMCCBC-CABCVRRESA-N 2 0 376.907 4.038 20 0 GIADRP CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc1 ZINC000126763384 823945227 /nfs/dbraw/zinc/94/52/27/823945227.db2.gz XOSSGAJMVZPNMK-MSOLQXFVSA-N 2 0 385.527 4.388 20 0 GIADRP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000414292124 823952616 /nfs/dbraw/zinc/95/26/16/823952616.db2.gz AJFPMXGONHQJKN-KRWDZBQOSA-N 2 0 392.465 4.383 20 0 GIADRP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccccc1C(F)(F)F ZINC000414311761 823955556 /nfs/dbraw/zinc/95/55/56/823955556.db2.gz VGQYTGZQIHFRKH-KRWDZBQOSA-N 2 0 392.465 4.383 20 0 GIADRP COc1ccc([C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C(C)C)cc1 ZINC000414311846 823955939 /nfs/dbraw/zinc/95/59/39/823955939.db2.gz VQYAAZGWIJOCPY-HSZRJFAPSA-N 2 0 382.548 4.009 20 0 GIADRP CCc1ccc([C@@H](CC)[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cc1 ZINC000414336433 823960825 /nfs/dbraw/zinc/96/08/25/823960825.db2.gz ZGJWLTCRLFSVOU-XMMPIXPASA-N 2 0 393.575 4.187 20 0 GIADRP Clc1c(Br)cccc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000414482027 823992328 /nfs/dbraw/zinc/99/23/28/823992328.db2.gz MEERXBCCVIDESQ-UHFFFAOYSA-N 2 0 380.717 4.256 20 0 GIADRP CC(=O)Nc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000575809751 824001464 /nfs/dbraw/zinc/00/14/64/824001464.db2.gz ZTNVMNXXCORHEN-UHFFFAOYSA-N 2 0 377.532 4.133 20 0 GIADRP CC[NH2+]CC1CCN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)CC1 ZINC000414703511 824025237 /nfs/dbraw/zinc/02/52/37/824025237.db2.gz CHUPQRHBDFEYFK-UHFFFAOYSA-N 2 0 386.584 4.305 20 0 GIADRP C[N@H+](Cc1ccccc1NC(=O)N1CCC2(CC[NH2+]CC2)CC1)C1CCCCC1 ZINC000414713370 824025597 /nfs/dbraw/zinc/02/55/97/824025597.db2.gz OZSOVBQHGFKZFN-UHFFFAOYSA-N 2 0 398.595 4.449 20 0 GIADRP Cc1ccccc1-c1ccc(C[N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C(C)C)s1 ZINC000414749000 824032771 /nfs/dbraw/zinc/03/27/71/824032771.db2.gz PFGNEJACPVOUGI-IBGZPJMESA-N 2 0 399.604 4.131 20 0 GIADRP Cc1ccccc1-c1ccc(C[N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C(C)C)s1 ZINC000414749001 824032834 /nfs/dbraw/zinc/03/28/34/824032834.db2.gz PFGNEJACPVOUGI-LJQANCHMSA-N 2 0 399.604 4.131 20 0 GIADRP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2ccc(OC(F)F)c(Br)c2)cc1 ZINC000414814441 824038791 /nfs/dbraw/zinc/03/87/91/824038791.db2.gz VPMQFAPCHZCZRN-NSHDSACASA-N 2 0 385.252 4.360 20 0 GIADRP CC1(C[NH2+]Cc2csc(-c3cccc(Br)c3)n2)CC[NH2+]CC1 ZINC000414910853 824049100 /nfs/dbraw/zinc/04/91/00/824049100.db2.gz SUWYLNNPXNCHNO-UHFFFAOYSA-N 2 0 380.355 4.052 20 0 GIADRP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414916718 824050097 /nfs/dbraw/zinc/05/00/97/824050097.db2.gz QEJLSTYNMNYDSW-SJCJKPOMSA-N 2 0 391.865 4.055 20 0 GIADRP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414916716 824050143 /nfs/dbraw/zinc/05/01/43/824050143.db2.gz QEJLSTYNMNYDSW-PXAZEXFGSA-N 2 0 391.865 4.055 20 0 GIADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)nc1 ZINC001164413127 718881245 /nfs/dbraw/zinc/88/12/45/718881245.db2.gz CDPBXKRMFXFWKH-MSOLQXFVSA-N 2 0 396.501 4.282 20 0 GIADRP Cc1cc2[nH]ccc2c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)[nH+]1 ZINC001164843880 720696224 /nfs/dbraw/zinc/69/62/24/720696224.db2.gz RSEIONCNTPLJIZ-FQEVSTJZSA-N 2 0 390.531 4.131 20 0 GIADRP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1OCc1cccnc1 ZINC000120760309 823058545 /nfs/dbraw/zinc/05/85/45/823058545.db2.gz WLKLSUCVINVZRF-NRFANRHFSA-N 2 0 397.563 4.127 20 0 GIADRP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)ccc1OCC(F)(F)F ZINC000120816163 823069951 /nfs/dbraw/zinc/06/99/51/823069951.db2.gz MWQAGGXENDGEEZ-KRWDZBQOSA-N 2 0 388.474 4.094 20 0 GIADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(Oc2ccccc2)c(F)c1)CN1CC[NH+](C)CC1 ZINC000120832347 823073317 /nfs/dbraw/zinc/07/33/17/823073317.db2.gz QEQAZRMALDXXLS-OALUTQOASA-N 2 0 385.527 4.152 20 0 GIADRP C[C@H]([NH2+]Cc1cccc(Br)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000120857519 823077929 /nfs/dbraw/zinc/07/79/29/823077929.db2.gz XWEAOSXYZYUNMU-HNNXBMFYSA-N 2 0 377.326 4.240 20 0 GIADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000175992458 823090632 /nfs/dbraw/zinc/09/06/32/823090632.db2.gz WREQQAOUDSJQHR-LJQANCHMSA-N 2 0 397.563 4.223 20 0 GIADRP C[C@H](C[NH2+][C@H](C)c1ccc(-c2ccc(F)cc2)s1)CN1CC[NH+](C)CC1 ZINC000120946376 823091202 /nfs/dbraw/zinc/09/12/02/823091202.db2.gz XPTGKAIDQYJYRJ-IAGOWNOFSA-N 2 0 375.557 4.088 20 0 GIADRP [NH3+][C@H](CCC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000570924146 823108009 /nfs/dbraw/zinc/10/80/09/823108009.db2.gz XARBAOYZGNHUJS-RTWAWAEBSA-N 2 0 385.939 4.073 20 0 GIADRP C[C@H](C[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F)C[NH+]1CCCCC1 ZINC000121106541 823119741 /nfs/dbraw/zinc/11/97/41/823119741.db2.gz ZMFWRQMJPKOHSX-HZPDHXFCSA-N 2 0 385.474 4.134 20 0 GIADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCCSc3ccc(Cl)cc32)CC1 ZINC000121294145 823156890 /nfs/dbraw/zinc/15/68/90/823156890.db2.gz KJVRCHAHZIEWRE-APWZRJJASA-N 2 0 382.017 4.130 20 0 GIADRP C[N@@H+]1CCC[C@H](CNC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000459442390 823192711 /nfs/dbraw/zinc/19/27/11/823192711.db2.gz JKMAPBLJWXXAHZ-UTKZUKDTSA-N 2 0 395.513 4.305 20 0 GIADRP CC1CC[NH+](C2CCC([NH2+]Cc3ccccc3N3CCO[C@@H](C)C3)CC2)CC1 ZINC000459442550 823193051 /nfs/dbraw/zinc/19/30/51/823193051.db2.gz CIVDBSIMCJGTLW-RBKXMNCYSA-N 2 0 385.596 4.044 20 0 GIADRP CC(C)[NH+]1CCC(O)(C[NH2+]C/C=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459443533 823193085 /nfs/dbraw/zinc/19/30/85/823193085.db2.gz QFJVDWDWVMZRFK-TWGQIWQCSA-N 2 0 394.559 4.104 20 0 GIADRP C[C@H](COc1ccccc1C(F)(F)F)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459479116 823201076 /nfs/dbraw/zinc/20/10/76/823201076.db2.gz UGJNGPZTPKVRNE-OAHLLOKOSA-N 2 0 379.426 4.126 20 0 GIADRP O=C1CC[C@@H](C[N@@H+]2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)CCN1 ZINC000459517880 823209695 /nfs/dbraw/zinc/20/96/95/823209695.db2.gz GDHGNIFGKOOXEH-ISKFKSNPSA-N 2 0 397.607 4.060 20 0 GIADRP OCC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000459543307 823216308 /nfs/dbraw/zinc/21/63/08/823216308.db2.gz IPNKWHSSAMHANB-LJQANCHMSA-N 2 0 380.319 4.071 20 0 GIADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cn(C4CCCC4)nc3-c3ccccn3)C2)CC1 ZINC000459552112 823218847 /nfs/dbraw/zinc/21/88/47/823218847.db2.gz RCKICOBJRGKESK-HXUWFJFHSA-N 2 0 393.579 4.224 20 0 GIADRP CC[NH+](CC)Cc1cccc(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000057174805 823259366 /nfs/dbraw/zinc/25/93/66/823259366.db2.gz KWGOWADAQCVTTP-UHFFFAOYSA-N 2 0 393.575 4.057 20 0 GIADRP CC1(C)CC[C@H](C[NH+]2CCCC3(CCC[N@@H+](C[C@H]4CCC(C)(C)O4)C3)C2)O1 ZINC000572326095 823320574 /nfs/dbraw/zinc/32/05/74/823320574.db2.gz ATNDVIGVMVKJFM-VJOPYQGCSA-N 2 0 378.601 4.080 20 0 GIADRP [NH3+]CCCOC1CC[NH+](C/C=C\c2ccc(OCc3ccccc3)cc2)CC1 ZINC000572404725 823333179 /nfs/dbraw/zinc/33/31/79/823333179.db2.gz VFYXEZJXBPDZCU-YWEYNIOJSA-N 2 0 380.532 4.109 20 0 GIADRP C[C@H](C(=O)Nc1ccccc1C[NH+](C)C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000572509388 823351789 /nfs/dbraw/zinc/35/17/89/823351789.db2.gz HQVFYEWLUOKXIQ-LJQANCHMSA-N 2 0 379.548 4.030 20 0 GIADRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(Br)cc1 ZINC000177269884 823416145 /nfs/dbraw/zinc/41/61/45/823416145.db2.gz XUFBMWXLMYBDMO-HNNXBMFYSA-N 2 0 377.326 4.240 20 0 GIADRP COc1ccc([C@H](Cc2ccccc2C)[NH2+]CCCc2cncn2C)cc1OC ZINC000572972073 823428354 /nfs/dbraw/zinc/42/83/54/823428354.db2.gz NMULNTRSDCVYJB-QFIPXVFZSA-N 2 0 393.531 4.252 20 0 GIADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccccc1Cl ZINC000177351190 823442850 /nfs/dbraw/zinc/44/28/50/823442850.db2.gz XVIAMWKEONLLAW-KRWDZBQOSA-N 2 0 385.939 4.016 20 0 GIADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000025702802 820016302 /nfs/dbraw/zinc/01/63/02/820016302.db2.gz VWUOFEIOYYPNJW-UHFFFAOYSA-N 2 0 390.527 4.413 20 0 GIADRP CC(C)[C@H]([NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000027450691 820246220 /nfs/dbraw/zinc/24/62/20/820246220.db2.gz NLFVMYWCRDGPFV-RDPSFJRHSA-N 2 0 393.575 4.143 20 0 GIADRP CCOc1ccc(NC(=O)[C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000028899298 820369009 /nfs/dbraw/zinc/36/90/09/820369009.db2.gz MNPUDAXOQOACNX-LJQANCHMSA-N 2 0 395.547 4.188 20 0 GIADRP CC(C)[C@H](C[NH2+]Cc1c2ccccc2cc2ccccc21)N1CC[NH+](C)CC1 ZINC000030664959 820661300 /nfs/dbraw/zinc/66/13/00/820661300.db2.gz LQNRLNBGTJWJSX-VWLOTQADSA-N 2 0 375.560 4.355 20 0 GIADRP CC[NH+](CC)CCOc1ccccc1NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000060552285 823541571 /nfs/dbraw/zinc/54/15/71/823541571.db2.gz QOLSINNKQWOQCQ-UHFFFAOYSA-N 2 0 395.547 4.255 20 0 GIADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000180643818 821380136 /nfs/dbraw/zinc/38/01/36/821380136.db2.gz XONNVDXLJZVANF-UIOOFZCWSA-N 2 0 386.539 4.327 20 0 GIADRP C[NH+](C)C1CCN(CC[NH2+]Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1 ZINC000180954278 821554313 /nfs/dbraw/zinc/55/43/13/821554313.db2.gz WJYKCUVEHDAHGU-UHFFFAOYSA-N 2 0 395.469 4.081 20 0 GIADRP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(Cl)cc1 ZINC000180975493 821567230 /nfs/dbraw/zinc/56/72/30/821567230.db2.gz VNPNRQOBYBLSAY-QFIPXVFZSA-N 2 0 399.966 4.407 20 0 GIADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(Cl)cc1Cl ZINC000180997863 821583869 /nfs/dbraw/zinc/58/38/69/821583869.db2.gz NZEPREOWNGQUMP-AWEZNQCLSA-N 2 0 394.346 4.136 20 0 GIADRP Cc1cc2ncc([C@@H](C)[NH2+]Cc3ccccc3C[NH+]3CCC(C)CC3)c(C)n2n1 ZINC000181202514 821694012 /nfs/dbraw/zinc/69/40/12/821694012.db2.gz NLMZRLJCYQNEDS-LJQANCHMSA-N 2 0 391.563 4.429 20 0 GIADRP COCCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000181373348 821793700 /nfs/dbraw/zinc/79/37/00/821793700.db2.gz DUOMMRCHOCHPMC-KRWDZBQOSA-N 2 0 387.593 4.477 20 0 GIADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H](CC(C)(C)C)c2ccccc2)cc1 ZINC000181976077 822050519 /nfs/dbraw/zinc/05/05/19/822050519.db2.gz RZFNICGYIXOLSQ-JOCHJYFZSA-N 2 0 381.564 4.245 20 0 GIADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000182237014 822160498 /nfs/dbraw/zinc/16/04/98/822160498.db2.gz GGWKYZJSUHTFRM-OXQOHEQNSA-N 2 0 388.939 4.156 20 0 GIADRP Cc1cc2c(cc1C)[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)CCCO2 ZINC000182244810 822165765 /nfs/dbraw/zinc/16/57/65/822165765.db2.gz VUBHVLAGSGYZQY-ISKFKSNPSA-N 2 0 394.559 4.264 20 0 GIADRP COc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)cc1C[NH+]1CCCCC1 ZINC000182285406 822186752 /nfs/dbraw/zinc/18/67/52/822186752.db2.gz XBFNZTLRSKVWEQ-VGOFRKELSA-N 2 0 386.511 4.204 20 0 GIADRP COc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)cc1NC(C)=O ZINC000177979142 822267185 /nfs/dbraw/zinc/26/71/85/822267185.db2.gz DOXSGARMGATSLK-KRWDZBQOSA-N 2 0 383.536 4.345 20 0 GIADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)cc1 ZINC000177979627 822268054 /nfs/dbraw/zinc/26/80/54/822268054.db2.gz PDBJRURXCQOJLG-GOSISDBHSA-N 2 0 383.536 4.042 20 0 GIADRP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178167808 822339355 /nfs/dbraw/zinc/33/93/55/822339355.db2.gz HGODJKZIWMWGHG-IBGZPJMESA-N 2 0 387.568 4.000 20 0 GIADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000178243075 822357828 /nfs/dbraw/zinc/35/78/28/822357828.db2.gz GMAKQVXHNWCQCF-LJQANCHMSA-N 2 0 383.502 4.132 20 0 GIADRP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000178742099 822406565 /nfs/dbraw/zinc/40/65/65/822406565.db2.gz AJOBXBJBBITYIW-UHFFFAOYSA-N 2 0 391.559 4.323 20 0 GIADRP FC(F)Sc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000182993969 822407392 /nfs/dbraw/zinc/40/73/92/822407392.db2.gz XTEYZYKRWTWTSE-YWZLYKJASA-N 2 0 396.547 4.469 20 0 GIADRP COc1ccc([C@@H](C)[NH2+]C[C@](C)(O)c2cccs2)cc1C[NH+]1CCCCC1 ZINC000183006529 822410036 /nfs/dbraw/zinc/41/00/36/822410036.db2.gz OHJNGXMSNFPMNH-VGSWGCGISA-N 2 0 388.577 4.301 20 0 GIADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C[C@](C)(O)c2cccs2)ccc1OC ZINC000183006435 822410139 /nfs/dbraw/zinc/41/01/39/822410139.db2.gz NPLNYOLWHBVMFS-IERDGZPVSA-N 2 0 376.566 4.157 20 0 GIADRP CC(=O)Nc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000183129021 822428259 /nfs/dbraw/zinc/42/82/59/822428259.db2.gz RXMHNGBTBABSCG-YFNKSVMNSA-N 2 0 377.532 4.035 20 0 GIADRP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccc(Cl)nc1 ZINC000179121681 822440489 /nfs/dbraw/zinc/44/04/89/822440489.db2.gz XVNVTEXFQYXSRM-CABCVRRESA-N 2 0 376.907 4.038 20 0 GIADRP COC(=O)COc1ccccc1[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000183315310 822457729 /nfs/dbraw/zinc/45/77/29/822457729.db2.gz YWWXASWIIDWXHQ-IBGZPJMESA-N 2 0 396.531 4.075 20 0 GIADRP Cc1cccc(NC(=O)[C@@H](C)[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000179388392 822475210 /nfs/dbraw/zinc/47/52/10/822475210.db2.gz WRFMKGUKSGPZLH-HXUWFJFHSA-N 2 0 394.563 4.264 20 0 GIADRP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179391396 822475793 /nfs/dbraw/zinc/47/57/93/822475793.db2.gz SXPXHLFCVQJQDM-GOSISDBHSA-N 2 0 398.526 4.095 20 0 GIADRP Fc1ccc([C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c2ccccc2)nc1 ZINC000183739607 822519916 /nfs/dbraw/zinc/51/99/16/822519916.db2.gz ZHPGMWVTAJVWRF-QHCPKHFHSA-N 2 0 376.479 4.211 20 0 GIADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000183993273 822559822 /nfs/dbraw/zinc/55/98/22/822559822.db2.gz FUMKEMTUVJQGNT-HBMCJLEFSA-N 2 0 393.616 4.265 20 0 GIADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000184083805 822575669 /nfs/dbraw/zinc/57/56/69/822575669.db2.gz OCOIIWWHVQGIEA-SXGZJXTBSA-N 2 0 384.395 4.276 20 0 GIADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)c1 ZINC000180086729 822612521 /nfs/dbraw/zinc/61/25/21/822612521.db2.gz DFLIUJZPGZJNKL-HSZRJFAPSA-N 2 0 397.538 4.138 20 0 GIADRP CCN1CC[NH+](CCCC[NH2+][C@H](c2ccccc2)c2cc(C)ccc2C)CC1 ZINC000180109984 822617296 /nfs/dbraw/zinc/61/72/96/822617296.db2.gz KKOTZPURSMYVNM-RUZDIDTESA-N 2 0 379.592 4.400 20 0 GIADRP FC(F)(F)CC[NH+]1CCC(NCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000180157094 822629022 /nfs/dbraw/zinc/62/90/22/822629022.db2.gz XIUHNYPXSASSLU-UHFFFAOYSA-N 2 0 375.523 4.182 20 0 GIADRP OC1CC[NH+](CCCN[C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC000180211749 822640196 /nfs/dbraw/zinc/64/01/96/822640196.db2.gz IUUKVLOJYHYSSS-OAQYLSRUSA-N 2 0 376.903 4.005 20 0 GIADRP C[C@H](NCc1cccc(SC(=O)N(C)C)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180464297 822686891 /nfs/dbraw/zinc/68/68/91/822686891.db2.gz NSZUDDLNJLVYQC-FUHWJXTLSA-N 2 0 375.582 4.203 20 0 GIADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)C2)CC1 ZINC000455892910 822743524 /nfs/dbraw/zinc/74/35/24/822743524.db2.gz CAHOZBKPFIGWAX-AUSIDOKSSA-N 2 0 398.595 4.211 20 0 GIADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000455942366 822754391 /nfs/dbraw/zinc/75/43/91/822754391.db2.gz VDEWURGFHZGDIX-ODOSVJCGSA-N 2 0 392.547 4.193 20 0 GIADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000455942365 822754443 /nfs/dbraw/zinc/75/44/43/822754443.db2.gz VDEWURGFHZGDIX-OAOOKAIFSA-N 2 0 392.547 4.193 20 0 GIADRP Cc1cccc2c(NCc3ccccc3C[NH+]3CCC(O)CC3)c(C)c[nH+]c12 ZINC000185328456 822766748 /nfs/dbraw/zinc/76/67/48/822766748.db2.gz BYIVWSYJZJAKKI-UHFFFAOYSA-N 2 0 375.516 4.420 20 0 GIADRP COc1ccccc1-c1ccc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000174325662 822771288 /nfs/dbraw/zinc/77/12/88/822771288.db2.gz KLTNBXSAVUBVQE-UHFFFAOYSA-N 2 0 393.575 4.010 20 0 GIADRP CCOc1ccccc1NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000053140069 822823233 /nfs/dbraw/zinc/82/32/33/822823233.db2.gz ABAHFQQAOXFRMQ-IBGZPJMESA-N 2 0 395.547 4.188 20 0 GIADRP C[C@@H](C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)[NH+]1CCCCCC1 ZINC000456797634 822832140 /nfs/dbraw/zinc/83/21/40/822832140.db2.gz XRWYIEPLHSDLOT-INIZCTEOSA-N 2 0 393.959 4.016 20 0 GIADRP CC1CC[NH+](Cc2ccc(C[NH2+]C3CCN(c4nccs4)CC3)cc2)CC1 ZINC000569261310 822897717 /nfs/dbraw/zinc/89/77/17/822897717.db2.gz XHUIVUIEQPCOBU-UHFFFAOYSA-N 2 0 384.593 4.134 20 0 GIADRP CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)C1 ZINC000175217357 822906893 /nfs/dbraw/zinc/90/68/93/822906893.db2.gz AMJSACJWXNWTRT-FQEVSTJZSA-N 2 0 383.540 4.003 20 0 GIADRP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186591209 822919157 /nfs/dbraw/zinc/91/91/57/822919157.db2.gz HZUOWZGPZNMPMZ-QZTJIDSGSA-N 2 0 386.609 4.104 20 0 GIADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1cccc(-n2ccnn2)c1 ZINC000569836626 822974316 /nfs/dbraw/zinc/97/43/16/822974316.db2.gz XHTVQZRZWKWBML-VQTJNVASSA-N 2 0 389.547 4.493 20 0 GIADRP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000569928285 822986911 /nfs/dbraw/zinc/98/69/11/822986911.db2.gz AHBODLRVVJNTRQ-VNQPRFMTSA-N 2 0 394.441 4.138 20 0 GIADRP C[NH+](C)CCc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000570302098 823023788 /nfs/dbraw/zinc/02/37/88/823023788.db2.gz KIDYMYOQTIZZEQ-UHFFFAOYSA-N 2 0 393.575 4.097 20 0 GIADRP CC1(C)OCc2cc(C[NH2+]CC3CC[NH+](Cc4cccs4)CC3)ccc2O1 ZINC000187234248 823028696 /nfs/dbraw/zinc/02/86/96/823028696.db2.gz IVEQODBHYJVRAT-UHFFFAOYSA-N 2 0 386.561 4.395 20 0 GIADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cscc1C(F)(F)F ZINC000570369726 823030176 /nfs/dbraw/zinc/03/01/76/823030176.db2.gz XUTGOVOLHCDCRI-QGZVFWFLSA-N 2 0 384.467 4.013 20 0 GIADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)C[C@@H]1C ZINC000411311870 823564044 /nfs/dbraw/zinc/56/40/44/823564044.db2.gz YHBHEYKNFNNOFA-LEDOBFOHSA-N 2 0 399.604 4.148 20 0 GIADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)[C@@H](C)C1 ZINC000411382757 823568143 /nfs/dbraw/zinc/56/81/43/823568143.db2.gz FSJITHKBVMZYSA-GREBRCKQSA-N 2 0 399.604 4.006 20 0 GIADRP Cc1c2ccccc2oc1[C@@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)C(C)C ZINC000411458592 823577064 /nfs/dbraw/zinc/57/70/64/823577064.db2.gz JQUCRHGVHJYNOE-QFIPXVFZSA-N 2 0 385.552 4.017 20 0 GIADRP C[C@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411514756 823583259 /nfs/dbraw/zinc/58/32/59/823583259.db2.gz GRIDNLJFPSAIIK-RDJZCZTQSA-N 2 0 388.943 4.175 20 0 GIADRP Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000061735366 823610274 /nfs/dbraw/zinc/61/02/74/823610274.db2.gz YKOUTHWUPJZKQE-RTWAWAEBSA-N 2 0 385.596 4.149 20 0 GIADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 ZINC000062426991 823635225 /nfs/dbraw/zinc/63/52/25/823635225.db2.gz VBLSBDAOCJRCPI-QFIPXVFZSA-N 2 0 388.559 4.418 20 0 GIADRP C[NH+](C)Cc1ccc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC000412555571 823661809 /nfs/dbraw/zinc/66/18/09/823661809.db2.gz BYMCTJIPRJUZTF-UHFFFAOYSA-N 2 0 383.511 4.128 20 0 GIADRP Cc1[nH]c2ccccc2c1C1CC[NH+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000191457038 823687332 /nfs/dbraw/zinc/68/73/32/823687332.db2.gz PFLQQYVGFOAPQR-UHFFFAOYSA-N 2 0 382.596 4.072 20 0 GIADRP Cc1cc(C)cc([C@@H](C)[NH2+]CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000574422952 823725848 /nfs/dbraw/zinc/72/58/48/823725848.db2.gz TZLCUUDDGYIRTG-OAQYLSRUSA-N 2 0 393.575 4.043 20 0 GIADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000163928530 823761939 /nfs/dbraw/zinc/76/19/39/823761939.db2.gz YXQCGCWJBQFYJA-LJQANCHMSA-N 2 0 393.531 4.480 20 0 GIADRP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000163955127 823765512 /nfs/dbraw/zinc/76/55/12/823765512.db2.gz LTVJYUYIOMHTFP-CLOONOSVSA-N 2 0 394.559 4.199 20 0 GIADRP C[C@@H](CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000574559124 823766430 /nfs/dbraw/zinc/76/64/30/823766430.db2.gz SMPJHAOYYOCPIY-DHLKQENFSA-N 2 0 377.576 4.072 20 0 GIADRP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C3CCOCC3)c1)CC2 ZINC000163966859 823766820 /nfs/dbraw/zinc/76/68/20/823766820.db2.gz JDDNVGWGCSLEPD-VWLOTQADSA-N 2 0 394.559 4.262 20 0 GIADRP Cc1ccccc1[C@H](C)[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000163966372 823766860 /nfs/dbraw/zinc/76/68/60/823766860.db2.gz SNLXYJVWDRSQJA-FQEVSTJZSA-N 2 0 382.548 4.335 20 0 GIADRP C[NH+]1CCN(c2cc(C[NH2+]Cc3ccc(-c4ccccc4Cl)o3)ccn2)CC1 ZINC000126046166 823774371 /nfs/dbraw/zinc/77/43/71/823774371.db2.gz OVDJBNMFLDAWCB-UHFFFAOYSA-N 2 0 396.922 4.037 20 0 GIADRP C/C=C/COc1ccc(CC[C@@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)cc1 ZINC000574646284 823789886 /nfs/dbraw/zinc/78/98/86/823789886.db2.gz GVPITOPHHQZMML-ZMBJWTFHSA-N 2 0 376.610 4.380 20 0 GIADRP CC1(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000164427260 823802650 /nfs/dbraw/zinc/80/26/50/823802650.db2.gz WAOCNHWQYFACND-UHFFFAOYSA-N 2 0 397.607 4.202 20 0 GIADRP CCCC[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000164442139 823802771 /nfs/dbraw/zinc/80/27/71/823802771.db2.gz HMNCRIGEUVEITC-OAHLLOKOSA-N 2 0 396.373 4.020 20 0 GIADRP C[C@H](C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)[C@H]([NH3+])c1ccccc1 ZINC000164586306 823810406 /nfs/dbraw/zinc/81/04/06/823810406.db2.gz SKZYKISFKCWPFK-MSYCTHLASA-N 2 0 379.548 4.013 20 0 GIADRP C[NH+]1CCC(C[NH2+][C@H](Cc2ccccn2)c2ccc(Br)cc2)CC1 ZINC000126255587 823822238 /nfs/dbraw/zinc/82/22/38/823822238.db2.gz WYBQUMTTYBKVFN-HXUWFJFHSA-N 2 0 388.353 4.059 20 0 GIADRP Clc1ccc2c(c1)C[C@H]([NH2+]CCCOC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000462108447 823830289 /nfs/dbraw/zinc/83/02/89/823830289.db2.gz AOVFORWZPNEOBQ-HSZRJFAPSA-N 2 0 398.978 4.468 20 0 GIADRP C[NH+](C)CCC1CC[NH+](Cc2coc(-c3ccc(Br)cc3)n2)CC1 ZINC000064515275 823833427 /nfs/dbraw/zinc/83/34/27/823833427.db2.gz CGKMWLMKHYODDE-UHFFFAOYSA-N 2 0 392.341 4.268 20 0 GIADRP COc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1OC ZINC000165297221 823842407 /nfs/dbraw/zinc/84/24/07/823842407.db2.gz KXPAZUWKPQIKQG-TZIWHRDSSA-N 2 0 382.548 4.227 20 0 GIADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414059446 823898004 /nfs/dbraw/zinc/89/80/04/823898004.db2.gz IPRVNMHVOAKTAF-IFMALSPDSA-N 2 0 378.004 4.374 20 0 GIADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414076210 823903387 /nfs/dbraw/zinc/90/33/87/823903387.db2.gz YBKVNKFREURFER-UNMCSNQZSA-N 2 0 378.004 4.374 20 0 GIADRP Clc1ccc([C@@H]2CCC[C@H]([NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)C2)cc1 ZINC000414081593 823904320 /nfs/dbraw/zinc/90/43/20/823904320.db2.gz FEBSMFCWTDVECE-JUXOCIIHSA-N 2 0 376.972 4.457 20 0 GIADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000414200365 823927547 /nfs/dbraw/zinc/92/75/47/823927547.db2.gz XUFYSKFDHNHZPQ-NLWGTHIKSA-N 2 0 378.532 4.156 20 0 GIADRP CCOc1cccc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c1 ZINC000126707791 823932347 /nfs/dbraw/zinc/93/23/47/823932347.db2.gz XJXOZWQNZLYTDX-MSOLQXFVSA-N 2 0 385.527 4.388 20 0 GIADRP Cc1nc2c(s1)[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)CCC2 ZINC000126735653 823938643 /nfs/dbraw/zinc/93/86/43/823938643.db2.gz SGOAEWWZMRCVMJ-KDOFPFPSSA-N 2 0 388.556 4.071 20 0 GIADRP CCn1cc([C@@H]2OCC[C@H]2C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)cn1 ZINC000414247702 823940117 /nfs/dbraw/zinc/94/01/17/823940117.db2.gz ORXZJYXLBHJEMK-GHTZIAJQSA-N 2 0 390.616 4.249 20 0 GIADRP CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccccc1OC ZINC000126751165 823941703 /nfs/dbraw/zinc/94/17/03/823941703.db2.gz UVPDLYOIFLTSTP-UTKZUKDTSA-N 2 0 385.527 4.388 20 0 GIADRP CC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccccc1OC ZINC000126750932 823941863 /nfs/dbraw/zinc/94/18/63/823941863.db2.gz UVPDLYOIFLTSTP-LAUBAEHRSA-N 2 0 385.527 4.388 20 0 GIADRP CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc1 ZINC000126763606 823944998 /nfs/dbraw/zinc/94/49/98/823944998.db2.gz XOSSGAJMVZPNMK-ROUUACIJSA-N 2 0 385.527 4.388 20 0 GIADRP CSc1ccc([C@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000414306481 823954618 /nfs/dbraw/zinc/95/46/18/823954618.db2.gz OIWYABRJSPKDQV-KRWDZBQOSA-N 2 0 388.552 4.225 20 0 GIADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cnc(-c4ccccc4)s3)CC2)C[C@H](C)O1 ZINC000170780162 823970217 /nfs/dbraw/zinc/97/02/17/823970217.db2.gz JCAILIOUWYIOQT-HDICACEKSA-N 2 0 385.577 4.131 20 0 GIADRP Cc1c([C@@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cnn1-c1ccc(F)cc1 ZINC000120880119 823081494 /nfs/dbraw/zinc/08/14/94/823081494.db2.gz KGSOAKPCRAPGDQ-OAHLLOKOSA-N 2 0 384.474 4.371 20 0 GIADRP C(=C/C[NH+]1CCC(OC2CCCC2)CC1)\C[NH+]1CCC(OC2CCCC2)CC1 ZINC000121134175 823124201 /nfs/dbraw/zinc/12/42/01/823124201.db2.gz BXNJUSFAYGXYRK-AATRIKPKSA-N 2 0 390.612 4.390 20 0 GIADRP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1cc2ccccc2s1 ZINC000187938133 823160956 /nfs/dbraw/zinc/16/09/56/823160956.db2.gz CRIYJSVEXKDCGR-MRXNPFEDSA-N 2 0 381.545 4.044 20 0 GIADRP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000187970171 823165477 /nfs/dbraw/zinc/16/54/77/823165477.db2.gz SJIXWSPEAWLBOA-NOZRDPDXSA-N 2 0 378.560 4.243 20 0 GIADRP C[C@@H]1CN(c2ccccc2C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)CCO1 ZINC000459380909 823177791 /nfs/dbraw/zinc/17/77/91/823177791.db2.gz RAYMNSRLZJHZCL-OAQYLSRUSA-N 2 0 393.575 4.187 20 0 GIADRP CC[NH+](CC)[C@@H](CNC1CC[NH+](C2CC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000459381057 823178194 /nfs/dbraw/zinc/17/81/94/823178194.db2.gz CDHIGUNJFMEFEV-FQEVSTJZSA-N 2 0 383.502 4.305 20 0 GIADRP Cc1c([C@@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cnn1-c1ccc(F)cc1 ZINC000459390992 823181174 /nfs/dbraw/zinc/18/11/74/823181174.db2.gz JQQBITKWDJNGCM-MRXNPFEDSA-N 2 0 379.483 4.034 20 0 GIADRP Oc1cccc(CNC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1Br ZINC000459393093 823181721 /nfs/dbraw/zinc/18/17/21/823181721.db2.gz VIDOQFYMLOERKL-CQSZACIVSA-N 2 0 395.366 4.218 20 0 GIADRP C[C@@]1(c2ccccc2)CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000188112630 823188283 /nfs/dbraw/zinc/18/82/83/823188283.db2.gz CBCIYWHWZBGIEM-UKILVPOCSA-N 2 0 378.560 4.243 20 0 GIADRP CC1CC[NH+](C2CCC([NH2+]Cc3ccccc3N3CCO[C@H](C)C3)CC2)CC1 ZINC000459442554 823193103 /nfs/dbraw/zinc/19/31/03/823193103.db2.gz CIVDBSIMCJGTLW-RDABAPPSSA-N 2 0 385.596 4.044 20 0 GIADRP Cn1c2ccccc2nc1[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000459466666 823198181 /nfs/dbraw/zinc/19/81/81/823198181.db2.gz OWTRSMIZIWMNGN-DEOSSOPVSA-N 2 0 397.526 4.316 20 0 GIADRP CCC(CC)(C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(OC)c(OC)c1 ZINC000459478835 823200812 /nfs/dbraw/zinc/20/08/12/823200812.db2.gz KZKVDSAMCPROEH-UHFFFAOYSA-N 2 0 397.563 4.415 20 0 GIADRP CCc1nnc(C[N@@H+]2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)n1C ZINC000459539936 823215639 /nfs/dbraw/zinc/21/56/39/823215639.db2.gz XCXCUNPFIXWDRY-JOCHJYFZSA-N 2 0 395.595 4.034 20 0 GIADRP Clc1ccccc1CN1CCC([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000571771746 823232406 /nfs/dbraw/zinc/23/24/06/823232406.db2.gz NYHAAAFFHCGPJI-UHFFFAOYSA-N 2 0 398.982 4.206 20 0 GIADRP Fc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2N[C@@H]2CC[NH+]3CCC[C@H]3C2)c1 ZINC000459729073 823257432 /nfs/dbraw/zinc/25/74/32/823257432.db2.gz GEZAUWAPAFMUJI-WSOYEBOPSA-N 2 0 393.550 4.010 20 0 GIADRP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000057844000 823340443 /nfs/dbraw/zinc/34/04/43/823340443.db2.gz QFOHHJWJAHREIM-OAQYLSRUSA-N 2 0 393.575 4.474 20 0 GIADRP CC[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)CC1 ZINC000017313535 818508763 /nfs/dbraw/zinc/50/87/63/818508763.db2.gz CQJFEFGUEFRFQD-UHFFFAOYSA-N 2 0 390.531 4.122 20 0 GIADRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)c1 ZINC000189051609 823348865 /nfs/dbraw/zinc/34/88/65/823348865.db2.gz VUHOKSYSLVURCA-UHFFFAOYSA-N 2 0 380.511 4.202 20 0 GIADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC[C@H](Cc4ccccc4)C3)cc2)CC1 ZINC000189161348 823367984 /nfs/dbraw/zinc/36/79/84/823367984.db2.gz FHKFWYSFXSHBEJ-RPWUZVMVSA-N 2 0 378.560 4.144 20 0 GIADRP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000572603122 823368210 /nfs/dbraw/zinc/36/82/10/823368210.db2.gz UYUOFZZBBYJHSF-GFCCVEGCSA-N 2 0 399.844 4.324 20 0 GIADRP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000572603123 823368351 /nfs/dbraw/zinc/36/83/51/823368351.db2.gz UYUOFZZBBYJHSF-LBPRGKRZSA-N 2 0 399.844 4.324 20 0 GIADRP C[N@H+](Cc1ccccc1NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)C1CCCCC1 ZINC000177101234 823371179 /nfs/dbraw/zinc/37/11/79/823371179.db2.gz VVALYCJJCKOILC-HXUWFJFHSA-N 2 0 398.595 4.401 20 0 GIADRP CSC1(C[NH2+]Cc2cc(Br)ccc2Cl)CC[NH+](C)CC1 ZINC000572651899 823375755 /nfs/dbraw/zinc/37/57/55/823375755.db2.gz YPCQCVIMVOUDLG-UHFFFAOYSA-N 2 0 377.779 4.020 20 0 GIADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177214033 823401235 /nfs/dbraw/zinc/40/12/35/823401235.db2.gz YKLLOSPTBFZVSF-UHFFFAOYSA-N 2 0 375.557 4.016 20 0 GIADRP CC[NH+](CC)CCOc1ccc(C(=O)Nc2cc(C[NH+](C)C)ccc2C)cc1 ZINC000177342980 823440502 /nfs/dbraw/zinc/44/05/02/823440502.db2.gz JPUGKOQFSOLBDB-UHFFFAOYSA-N 2 0 383.536 4.030 20 0 GIADRP CCc1ccc(NC(=O)[C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000025702517 820016265 /nfs/dbraw/zinc/01/62/65/820016265.db2.gz SEOHKVKXRMKAHS-LJQANCHMSA-N 2 0 379.548 4.352 20 0 GIADRP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cc1NC(C)=O ZINC000123049559 823453498 /nfs/dbraw/zinc/45/34/98/823453498.db2.gz SNCCPQICVQTRFM-QGZVFWFLSA-N 2 0 381.520 4.100 20 0 GIADRP C[C@H]1C[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000177475805 823471496 /nfs/dbraw/zinc/47/14/96/823471496.db2.gz YJIACTFZVIZABQ-RDPSFJRHSA-N 2 0 391.559 4.065 20 0 GIADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCc2nc3c(cccc3C)o2)CC1 ZINC000410355906 823472184 /nfs/dbraw/zinc/47/21/84/823472184.db2.gz VFNMPCHCGALVEQ-UHFFFAOYSA-N 2 0 392.547 4.001 20 0 GIADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)NCc1ccccc1Cl ZINC000028899386 820370095 /nfs/dbraw/zinc/37/00/95/820370095.db2.gz RCXQFJFCCKFPMO-GOSISDBHSA-N 2 0 399.966 4.120 20 0 GIADRP COc1ccc(C[NH2+]Cc2ccc(C[NH+](C)C)cc2)cc1OCc1cccnc1 ZINC000030545900 820637772 /nfs/dbraw/zinc/63/77/72/820637772.db2.gz IEZHBDBKXBBYLQ-UHFFFAOYSA-N 2 0 391.515 4.021 20 0 GIADRP C[C@H]([NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc2c(c1)CCO2 ZINC000177751387 823520596 /nfs/dbraw/zinc/52/05/96/823520596.db2.gz WLOXUEIXJDVRDH-OTWHNJEPSA-N 2 0 380.532 4.082 20 0 GIADRP CC(C)C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cccs1 ZINC000180975270 821567458 /nfs/dbraw/zinc/56/74/58/821567458.db2.gz BAJNODIJCAYLOA-OAQYLSRUSA-N 2 0 399.604 4.451 20 0 GIADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cc2ccccc2o1 ZINC000180975867 821567751 /nfs/dbraw/zinc/56/77/51/821567751.db2.gz AEIBYPAOFYFJLT-SFHVURJKSA-N 2 0 391.515 4.109 20 0 GIADRP Cc1cc2ncc([C@H](C)[NH2+]Cc3ccc(C[N@@H+]4CCC[C@H](C)C4)cc3)c(C)n2n1 ZINC000181201924 821694194 /nfs/dbraw/zinc/69/41/94/821694194.db2.gz FZZSSHJTJPOQNP-HKUYNNGSSA-N 2 0 391.563 4.429 20 0 GIADRP C[C@H]([NH2+]Cc1ccccc1N1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000181266613 821725072 /nfs/dbraw/zinc/72/50/72/821725072.db2.gz YDVTXWCPFYDSLW-FQEVSTJZSA-N 2 0 381.564 4.468 20 0 GIADRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(OC(F)F)cc1 ZINC000181414815 821813608 /nfs/dbraw/zinc/81/36/08/821813608.db2.gz HLPVPIOODDBLBC-UFYCRDLUSA-N 2 0 382.495 4.097 20 0 GIADRP COCCc1nc(C)c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)s1 ZINC000181417291 821814927 /nfs/dbraw/zinc/81/49/27/821814927.db2.gz GGWQRYQEOUVYGC-ZNDGOPKYSA-N 2 0 399.604 4.487 20 0 GIADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccc(Br)c1 ZINC000181418212 821815801 /nfs/dbraw/zinc/81/58/01/821815801.db2.gz WWCBIHFHBOOLNW-ZCNNSNEGSA-N 2 0 395.385 4.258 20 0 GIADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H](CC(C)(C)C)c2ccccc2)cc1 ZINC000181976059 822050247 /nfs/dbraw/zinc/05/02/47/822050247.db2.gz RZFNICGYIXOLSQ-QFIPXVFZSA-N 2 0 381.564 4.245 20 0 GIADRP CCc1c2ccccc2oc1[C@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000181975491 822050268 /nfs/dbraw/zinc/05/02/68/822050268.db2.gz GNLZEKKWIISIBB-KRWDZBQOSA-N 2 0 393.531 4.137 20 0 GIADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000182131049 822109111 /nfs/dbraw/zinc/10/91/11/822109111.db2.gz LTESPTNLAPNYHN-NRFANRHFSA-N 2 0 385.596 4.060 20 0 GIADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000182131427 822109155 /nfs/dbraw/zinc/10/91/55/822109155.db2.gz JCNOIGZBQCAHBY-VXKWHMMOSA-N 2 0 399.623 4.163 20 0 GIADRP CCCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000182236844 822160527 /nfs/dbraw/zinc/16/05/27/822160527.db2.gz MOFGOMSSNPPWNS-AUSIDOKSSA-N 2 0 382.548 4.283 20 0 GIADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(-c2ccncc2)c1 ZINC000182264218 822177450 /nfs/dbraw/zinc/17/74/50/822177450.db2.gz ADTJUOUGJVGYAK-CLOONOSVSA-N 2 0 387.527 4.166 20 0 GIADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CC3(CCCC3)Oc3ccccc32)C1 ZINC000182268296 822179840 /nfs/dbraw/zinc/17/98/40/822179840.db2.gz YJSXLWRNFFAYSV-GMAHTHKFSA-N 2 0 392.543 4.179 20 0 GIADRP COc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(OC)c(C[NH+]3CCCCC3)c2)cc1 ZINC000182286750 822187553 /nfs/dbraw/zinc/18/75/53/822187553.db2.gz BUYWJVSMKBQIDM-MBSDFSHPSA-N 2 0 398.547 4.074 20 0 GIADRP COc1ccc([C@H](C)[NH2+]CCc2cn3ccccc3n2)cc1C[NH+]1CCCCC1 ZINC000182310645 822198442 /nfs/dbraw/zinc/19/84/42/822198442.db2.gz VSPZGUZJXJQZDX-IBGZPJMESA-N 2 0 392.547 4.222 20 0 GIADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)c1 ZINC000177978097 822266455 /nfs/dbraw/zinc/26/64/55/822266455.db2.gz HEVGGELNRXQNDT-GOSISDBHSA-N 2 0 381.520 4.334 20 0 GIADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)C1 ZINC000178002525 822277813 /nfs/dbraw/zinc/27/78/13/822277813.db2.gz MOQABIGRTAKUPS-IBGZPJMESA-N 2 0 386.584 4.257 20 0 GIADRP COc1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccccc2F)cc1C[NH+]1CCCCC1 ZINC000182536990 822289001 /nfs/dbraw/zinc/28/90/01/822289001.db2.gz XJVCLEMDGFAPMM-VGSWGCGISA-N 2 0 386.511 4.204 20 0 GIADRP C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182569393 822307047 /nfs/dbraw/zinc/30/70/47/822307047.db2.gz VJYGWFWDHQHPDR-LATSOQNDSA-N 2 0 381.486 4.009 20 0 GIADRP COc1ccc([C@@H](C)[NH2+]Cc2ccc(CO)c(F)c2)cc1C[NH+]1CCCCC1 ZINC000182576974 822310323 /nfs/dbraw/zinc/31/03/23/822310323.db2.gz JJHIXIMGNGPCPE-QGZVFWFLSA-N 2 0 386.511 4.163 20 0 GIADRP Cc1nc(C)c([C@@H](C)[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000178283883 822363186 /nfs/dbraw/zinc/36/31/86/822363186.db2.gz AOLFBOIFOOCWIR-QGZVFWFLSA-N 2 0 387.593 4.482 20 0 GIADRP Cc1cc([C@H](C)[NH2+]CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c(C)s1 ZINC000182763401 822363919 /nfs/dbraw/zinc/36/39/19/822363919.db2.gz WEGKJKFZZCMZBW-SFHVURJKSA-N 2 0 399.604 4.105 20 0 GIADRP CC[C@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccc2c(c1)OCCO2 ZINC000178478958 822383118 /nfs/dbraw/zinc/38/31/18/822383118.db2.gz LNTZQYVIQAYHRF-UWJYYQICSA-N 2 0 384.520 4.200 20 0 GIADRP Cc1cc(Br)c(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)s1 ZINC000453590475 822389616 /nfs/dbraw/zinc/38/96/16/822389616.db2.gz OJFZEJDJBBMQOA-UHFFFAOYSA-N 2 0 383.355 4.049 20 0 GIADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)ccc1OC ZINC000182963930 822400757 /nfs/dbraw/zinc/40/07/57/822400757.db2.gz GYUKISFWVRLLSZ-IRXDYDNUSA-N 2 0 398.551 4.439 20 0 GIADRP CCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000178795457 822410525 /nfs/dbraw/zinc/41/05/25/822410525.db2.gz VTZYHQFZAJKEEV-LJQANCHMSA-N 2 0 382.548 4.283 20 0 GIADRP COc1ccc([C@@H](C)[NH2+]C[C@H](CCO)c2ccccc2)cc1C[NH+]1CCCCC1 ZINC000183009321 822410629 /nfs/dbraw/zinc/41/06/29/822410629.db2.gz CTHYIOXJHPGRBD-OFNKIYASSA-N 2 0 396.575 4.498 20 0 GIADRP C[C@H]([NH2+]C1CCC2(CC1)c1ccccc1NC2=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183191241 822438716 /nfs/dbraw/zinc/43/87/16/822438716.db2.gz YGBLUOQBJFFECZ-BBFQFKIHSA-N 2 0 381.564 4.062 20 0 GIADRP C[C@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)nc1 ZINC000179136306 822441978 /nfs/dbraw/zinc/44/19/78/822441978.db2.gz MCYFLIHLHYDMKT-SFHVURJKSA-N 2 0 387.955 4.457 20 0 GIADRP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179391573 822476157 /nfs/dbraw/zinc/47/61/57/822476157.db2.gz HALNBGJJXAYPMU-HXUWFJFHSA-N 2 0 394.563 4.264 20 0 GIADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H](c2cccs2)C2CCCC2)c1 ZINC000179421885 822480137 /nfs/dbraw/zinc/48/01/37/822480137.db2.gz ZFZXSXGVEZHEOP-NRFANRHFSA-N 2 0 385.577 4.061 20 0 GIADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H](c2cccs2)C2CCCC2)c1 ZINC000179421873 822480190 /nfs/dbraw/zinc/48/01/90/822480190.db2.gz ZFZXSXGVEZHEOP-OAQYLSRUSA-N 2 0 385.577 4.061 20 0 GIADRP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000179510300 822493464 /nfs/dbraw/zinc/49/34/64/822493464.db2.gz RZIBHITXJQHDSW-NRFANRHFSA-N 2 0 383.536 4.149 20 0 GIADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCc3c2cccc3Br)c1 ZINC000180025109 822599391 /nfs/dbraw/zinc/59/93/91/822599391.db2.gz FKTCOHAVFNICGX-HXUWFJFHSA-N 2 0 389.337 4.167 20 0 GIADRP CC1(C)[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C[C@H]1c1ccccc1 ZINC000184557778 822656917 /nfs/dbraw/zinc/65/69/17/822656917.db2.gz STWFOKLBJOCSMM-ZEQRLZLVSA-N 2 0 378.560 4.315 20 0 GIADRP C[C@H](NCc1cccc(SC(=O)N(C)C)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000180464329 822686876 /nfs/dbraw/zinc/68/68/76/822686876.db2.gz NSZUDDLNJLVYQC-WMZOPIPTSA-N 2 0 375.582 4.203 20 0 GIADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H](c2cccc(F)c2)c2cccc(Cl)c2)CC1 ZINC000180468109 822687422 /nfs/dbraw/zinc/68/74/22/822687422.db2.gz JVAWAUILCNOYTI-JOCHJYFZSA-N 2 0 389.946 4.186 20 0 GIADRP C[C@@H]([NH2+]Cc1sccc1Br)c1cccc(OCC[NH+](C)C)c1 ZINC000180480200 822689017 /nfs/dbraw/zinc/68/90/17/822689017.db2.gz YXXRSLXJMQOFCR-CYBMUJFWSA-N 2 0 383.355 4.302 20 0 GIADRP CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)c1 ZINC000455922501 822750045 /nfs/dbraw/zinc/75/00/45/822750045.db2.gz MCLVEHQVQCUNLJ-QFIPXVFZSA-N 2 0 380.536 4.009 20 0 GIADRP CC1CC[NH+](C2CCC(NC(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)CC2)CC1 ZINC000455947065 822755895 /nfs/dbraw/zinc/75/58/95/822755895.db2.gz XGTIYZYNFDEBPV-POOLCLQXSA-N 2 0 398.595 4.400 20 0 GIADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000174451957 822791789 /nfs/dbraw/zinc/79/17/89/822791789.db2.gz WUSQCIOUCOVSML-UHFFFAOYSA-N 2 0 386.499 4.387 20 0 GIADRP C[C@H]([NH2+]CCOc1ccccc1Br)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185768775 822819422 /nfs/dbraw/zinc/81/94/22/822819422.db2.gz QIMHUDGQHOKTOY-JKSUJKDBSA-N 2 0 381.358 4.071 20 0 GIADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC000185871751 822828878 /nfs/dbraw/zinc/82/88/78/822828878.db2.gz PTLDNQLSVLHZQV-INIZCTEOSA-N 2 0 377.985 4.184 20 0 GIADRP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000186187269 822859203 /nfs/dbraw/zinc/85/92/03/822859203.db2.gz DSCRXELMDXEPFH-XMMPIXPASA-N 2 0 378.560 4.427 20 0 GIADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000175027834 822870619 /nfs/dbraw/zinc/87/06/19/822870619.db2.gz YRQDCQAJBWRLSP-UHFFFAOYSA-N 2 0 391.559 4.019 20 0 GIADRP C[C@H](CC[NH+]1CC[C@@H](c2cccnc2)C1)CC[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000569336968 822908792 /nfs/dbraw/zinc/90/87/92/822908792.db2.gz VLOASOAQWKBGOA-GCORVILKSA-N 2 0 378.564 4.172 20 0 GIADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000186603320 822922092 /nfs/dbraw/zinc/92/20/92/822922092.db2.gz QBZLWHBDUZHPHV-HOTGVXAUSA-N 2 0 389.531 4.018 20 0 GIADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(SCC(F)(F)F)cc1 ZINC000186603362 822922105 /nfs/dbraw/zinc/92/21/05/822922105.db2.gz QBZLWHBDUZHPHV-JKSUJKDBSA-N 2 0 389.531 4.018 20 0 GIADRP CC[N@H+](Cc1ccc(C(=O)Nc2ccc(OCC[NH+](C)C)c(F)c2)cc1)C1CC1 ZINC000458283922 822978124 /nfs/dbraw/zinc/97/81/24/822978124.db2.gz JCXNNSZHKFYFCE-UHFFFAOYSA-N 2 0 399.510 4.003 20 0 GIADRP COc1ccc([C@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000570025789 822998704 /nfs/dbraw/zinc/99/87/04/822998704.db2.gz JYXRBWINZYEJMY-KRWDZBQOSA-N 2 0 388.939 4.026 20 0 GIADRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cccc(Br)c2OC)c1 ZINC000187206939 823024807 /nfs/dbraw/zinc/02/48/07/823024807.db2.gz NMAQMCVCWIACFY-UHFFFAOYSA-N 2 0 377.326 4.199 20 0 GIADRP COc1ccc([C@@H](Cc2ccccc2)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000570369536 823030142 /nfs/dbraw/zinc/03/01/42/823030142.db2.gz RNKKHVNKUOKKNY-PXDATVDWSA-N 2 0 394.559 4.070 20 0 GIADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(OC)c(Cn3cccn3)c2)c1 ZINC000123977638 823557450 /nfs/dbraw/zinc/55/74/50/823557450.db2.gz CQPVOEOYVVJKHY-LJQANCHMSA-N 2 0 392.547 4.243 20 0 GIADRP CC[N@H+](C)Cc1cccc(C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)c1 ZINC000123989477 823558210 /nfs/dbraw/zinc/55/82/10/823558210.db2.gz CYPIUGZKPZIZMZ-UHFFFAOYSA-N 2 0 377.532 4.061 20 0 GIADRP CC(CC[NH+](C)C1CC[NH+](C(C)C)CC1)CC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000411230209 823559028 /nfs/dbraw/zinc/55/90/28/823559028.db2.gz UZAOUFMYUZCPET-UHFFFAOYSA-N 4 0 394.692 4.012 20 0 GIADRP O=C(CC1CCCC1)NC1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411252820 823560535 /nfs/dbraw/zinc/56/05/35/823560535.db2.gz LCZBIHLALBZPFX-UHFFFAOYSA-N 2 0 397.607 4.333 20 0 GIADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000411424231 823572778 /nfs/dbraw/zinc/57/27/78/823572778.db2.gz LDYWOPWWGPQKDZ-UHFFFAOYSA-N 2 0 389.515 4.051 20 0 GIADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(-n2ccnn2)cc1 ZINC000411475568 823579303 /nfs/dbraw/zinc/57/93/03/823579303.db2.gz AQZAMZCJEMTZQB-IBGZPJMESA-N 2 0 375.520 4.104 20 0 GIADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1ccc(-n2ccnn2)cc1 ZINC000411487626 823580531 /nfs/dbraw/zinc/58/05/31/823580531.db2.gz WGWXDABWHHECOB-LJQANCHMSA-N 2 0 375.520 4.104 20 0 GIADRP C[C@H]([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411514425 823583008 /nfs/dbraw/zinc/58/30/08/823583008.db2.gz GBQQNKZWTJPOLB-DOTOQJQBSA-N 2 0 388.943 4.175 20 0 GIADRP C[C@H]([NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411518421 823583820 /nfs/dbraw/zinc/58/38/20/823583820.db2.gz PGROBFCFGCTJJD-JKSUJKDBSA-N 2 0 397.485 4.277 20 0 GIADRP c1cc(C[NH+]2CCC(c3noc(C4CC4)n3)CC2)ccc1C[NH+]1CCCCC1 ZINC000411533281 823585541 /nfs/dbraw/zinc/58/55/41/823585541.db2.gz ANYPYGUIARQJHD-UHFFFAOYSA-N 2 0 380.536 4.313 20 0 GIADRP CC(CC[NH+]1CCC([C@@H]2CCCO2)CC1)CC[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000411615177 823590894 /nfs/dbraw/zinc/59/08/94/823590894.db2.gz RLRYOUMKLUFBTH-ZEQRLZLVSA-N 2 0 392.628 4.185 20 0 GIADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cccc(C[NH+]4CCCCC4)c3)C2)CC1 ZINC000411783507 823604397 /nfs/dbraw/zinc/60/43/97/823604397.db2.gz IZTSYYXGDQDRRC-HSZRJFAPSA-N 2 0 397.607 4.257 20 0 GIADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(Br)c(Br)c2)CC1 ZINC000124554631 823605985 /nfs/dbraw/zinc/60/59/85/823605985.db2.gz VQJYGYCTSQJOPA-UHFFFAOYSA-N 2 0 390.163 4.033 20 0 GIADRP C[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C1CCN(CC(F)(F)F)CC1 ZINC000411810571 823607030 /nfs/dbraw/zinc/60/70/30/823607030.db2.gz QUVFTMCPJGVCJY-UHFFFAOYSA-N 2 0 383.502 4.131 20 0 GIADRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(F)cc1OC(F)F ZINC000124771655 823624881 /nfs/dbraw/zinc/62/48/81/823624881.db2.gz PXDBKBULKYBDEU-INIZCTEOSA-N 2 0 399.501 4.028 20 0 GIADRP Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000191070218 823644990 /nfs/dbraw/zinc/64/49/90/823644990.db2.gz VODQUEROUZREPL-OAQYLSRUSA-N 2 0 392.465 4.260 20 0 GIADRP C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3cccc(C[NH+]4CCCCC4)c3)cccc21 ZINC000412309450 823645249 /nfs/dbraw/zinc/64/52/49/823645249.db2.gz SCUPCDQWKIRTQN-JOCHJYFZSA-N 2 0 393.531 4.310 20 0 GIADRP C[NH+](C)CCOc1ccc(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)cc1F ZINC000412414774 823654203 /nfs/dbraw/zinc/65/42/03/823654203.db2.gz IHHIALORQHBROK-UHFFFAOYSA-N 2 0 399.510 4.004 20 0 GIADRP Cc1c([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cnn1C(C)C ZINC000191268627 823665611 /nfs/dbraw/zinc/66/56/11/823665611.db2.gz KKLKIMUHFDFHER-IRXDYDNUSA-N 2 0 387.547 4.075 20 0 GIADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H](C)c3cnn(C(C)C)c3)CC2)c1 ZINC000125338083 823668991 /nfs/dbraw/zinc/66/89/91/823668991.db2.gz GHAXCBIWVBNIPK-NRFANRHFSA-N 2 0 383.584 4.025 20 0 GIADRP CCSc1ccccc1[C@H](C)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000163512615 823717309 /nfs/dbraw/zinc/71/73/09/823717309.db2.gz HNCLADKANRQOMQ-KRWDZBQOSA-N 2 0 391.625 4.076 20 0 GIADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000163762624 823745783 /nfs/dbraw/zinc/74/57/83/823745783.db2.gz VCAFAQLNPPZYEN-SFHVURJKSA-N 2 0 381.520 4.336 20 0 GIADRP CC[C@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1cccs1 ZINC000163957346 823765999 /nfs/dbraw/zinc/76/59/99/823765999.db2.gz MSFUMWOQMSFACN-NRFANRHFSA-N 2 0 388.577 4.479 20 0 GIADRP COc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)cc1 ZINC000163970798 823767411 /nfs/dbraw/zinc/76/74/11/823767411.db2.gz QNASUROEAHPCDM-LJQANCHMSA-N 2 0 398.547 4.036 20 0 GIADRP CCc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)o1 ZINC000163976713 823767997 /nfs/dbraw/zinc/76/79/97/823767997.db2.gz FYKIISWDHYCUIE-GOSISDBHSA-N 2 0 386.536 4.182 20 0 GIADRP COc1cc([C@H](C)[NH2+][C@H](C)C2CC[NH+](C)CC2)ccc1OCc1ccncc1 ZINC000164070407 823775270 /nfs/dbraw/zinc/77/52/70/823775270.db2.gz OVVVJONYYNDHGD-MSOLQXFVSA-N 2 0 383.536 4.050 20 0 GIADRP CCCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000461982759 823782343 /nfs/dbraw/zinc/78/23/43/823782343.db2.gz HMLTXCWMSJNUAB-XMMPIXPASA-N 2 0 393.575 4.265 20 0 GIADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000164602695 823811828 /nfs/dbraw/zinc/81/18/28/823811828.db2.gz NPHPNVRNKLNYRB-XXBNENTESA-N 2 0 379.548 4.015 20 0 GIADRP c1ccc(C[NH+]2CCC(OCCC[NH2+][C@H]3CCc4ccccc4C3)CC2)cc1 ZINC000462108418 823829443 /nfs/dbraw/zinc/82/94/43/823829443.db2.gz ACYLSCNLADPQDE-DEOSSOPVSA-N 2 0 378.560 4.205 20 0 GIADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000165561580 823853883 /nfs/dbraw/zinc/85/38/83/823853883.db2.gz WAUMJAWNJRGPNS-FHAGJXEFSA-N 2 0 388.559 4.417 20 0 GIADRP C[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)c1cccs1 ZINC000165582644 823854940 /nfs/dbraw/zinc/85/49/40/823854940.db2.gz QNXXUPUVMHMKDS-CQSZACIVSA-N 2 0 383.483 4.370 20 0 GIADRP CSc1ccc([C@@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000414306485 823954696 /nfs/dbraw/zinc/95/46/96/823954696.db2.gz OIWYABRJSPKDQV-QGZVFWFLSA-N 2 0 388.552 4.225 20 0 GIADRP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccccc1C(F)(F)F ZINC000414311762 823955906 /nfs/dbraw/zinc/95/59/06/823955906.db2.gz VGQYTGZQIHFRKH-QGZVFWFLSA-N 2 0 392.465 4.383 20 0 GIADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)[C@H](C)C1CCCCC1 ZINC000414321173 823958092 /nfs/dbraw/zinc/95/80/92/823958092.db2.gz DSIYWJRRTFYDMU-RBUKOAKNSA-N 2 0 385.596 4.078 20 0 GIADRP CCCc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cc1 ZINC000414335079 823960318 /nfs/dbraw/zinc/96/03/18/823960318.db2.gz XVIKBNLAEKJNEX-IBGZPJMESA-N 2 0 393.575 4.187 20 0 GIADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cc(C)c(O)c(C)c2)CC1 ZINC000575367580 823963252 /nfs/dbraw/zinc/96/32/52/823963252.db2.gz CDCHRHDPXSDZAB-GOSISDBHSA-N 2 0 385.527 4.141 20 0 GIADRP Cc1c(F)cccc1NC(=O)CC[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000570631130 823064453 /nfs/dbraw/zinc/06/44/53/823064453.db2.gz WIWIUAZJITYCGP-SFHVURJKSA-N 2 0 397.538 4.484 20 0 GIADRP COc1cc([C@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)ccc1OC(F)F ZINC000120867107 823079476 /nfs/dbraw/zinc/07/94/76/823079476.db2.gz FAYPXAAGIWFGFW-ZDUSSCGKSA-N 2 0 382.426 4.348 20 0 GIADRP C[NH+](C)CCOc1cccc(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000570785292 823087168 /nfs/dbraw/zinc/08/71/68/823087168.db2.gz JVHJRBVAIGUGMZ-WBDAEOGXSA-N 2 0 379.548 4.235 20 0 GIADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)C(=O)Nc2ccc(F)cc2Cl)c1 ZINC000056184960 823098188 /nfs/dbraw/zinc/09/81/88/823098188.db2.gz VCCNBLWJXLQGKE-OAHLLOKOSA-N 2 0 391.918 4.438 20 0 GIADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(SC2CCCC2)cc1)CN1CC[NH+](C)CC1 ZINC000121080007 823114603 /nfs/dbraw/zinc/11/46/03/823114603.db2.gz IAPTXXOYACFKJD-OALUTQOASA-N 2 0 375.626 4.255 20 0 GIADRP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000571099575 823132118 /nfs/dbraw/zinc/13/21/18/823132118.db2.gz NIFJKLXXWRCNMT-MQNAVGNWSA-N 2 0 383.580 4.192 20 0 GIADRP C[C@H]([NH2+]C[C@@H](O)Cc1ccc2ccccc2c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000571136774 823139316 /nfs/dbraw/zinc/13/93/16/823139316.db2.gz DOTBUAPCPMBSEC-LZYPDUGYSA-N 2 0 388.555 4.243 20 0 GIADRP C[C@H]([NH2+]C[C@@H](O)Cc1ccc2ccccc2c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000571136775 823139360 /nfs/dbraw/zinc/13/93/60/823139360.db2.gz DOTBUAPCPMBSEC-XZZVZQAVSA-N 2 0 388.555 4.243 20 0 GIADRP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000571252624 823156199 /nfs/dbraw/zinc/15/61/99/823156199.db2.gz XOPZRFXHPWBUPD-UHFFFAOYSA-N 2 0 385.515 4.473 20 0 GIADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cc4ccccc4nc3N3CCCCC3)C2)CC1 ZINC000571247080 823154982 /nfs/dbraw/zinc/15/49/82/823154982.db2.gz SMMIMYVSUNYARC-JOCHJYFZSA-N 2 0 392.591 4.389 20 0 GIADRP Cc1nc2scc(C3CC3)n2c1C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000459316657 823160381 /nfs/dbraw/zinc/16/03/81/823160381.db2.gz AQBFSYKOPUVBTK-INIZCTEOSA-N 2 0 381.549 4.219 20 0 GIADRP CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC000571307930 823163319 /nfs/dbraw/zinc/16/33/19/823163319.db2.gz VCILBDYMBUNPBW-ZJOQZMJJSA-N 2 0 376.610 4.099 20 0 GIADRP C[C@]1(c2ccccc2)CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000187970114 823165365 /nfs/dbraw/zinc/16/53/65/823165365.db2.gz SJIXWSPEAWLBOA-ZCYQVOJMSA-N 2 0 378.560 4.243 20 0 GIADRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)cc2)C1 ZINC000459378975 823177532 /nfs/dbraw/zinc/17/75/32/823177532.db2.gz SANACBSPGMPRLJ-FQEVSTJZSA-N 3 0 378.564 4.072 20 0 GIADRP C[C@H](NC1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCCC1)c1ccccc1 ZINC000459446930 823193944 /nfs/dbraw/zinc/19/39/44/823193944.db2.gz PWRMGNDFFJHAID-FQEVSTJZSA-N 2 0 378.564 4.304 20 0 GIADRP Brc1ccc2[nH]cc(CC[NH2+]C3CCN(c4cc[nH+]cc4)CC3)c2c1 ZINC000459485865 823202313 /nfs/dbraw/zinc/20/23/13/823202313.db2.gz RFEWCNLTERDLAC-UHFFFAOYSA-N 2 0 399.336 4.127 20 0 GIADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cc2ccccc2s1 ZINC000188207694 823203079 /nfs/dbraw/zinc/20/30/79/823203079.db2.gz XQVGVVBNEOXJNS-MRXNPFEDSA-N 2 0 381.545 4.044 20 0 GIADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)c(Br)c1 ZINC000459596369 823227184 /nfs/dbraw/zinc/22/71/84/823227184.db2.gz UJPNOVXJAIASQS-CYBMUJFWSA-N 2 0 378.289 4.303 20 0 GIADRP O=C(Nc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1)c1ccc(F)cc1 ZINC000572272303 823311155 /nfs/dbraw/zinc/31/11/55/823311155.db2.gz CLVUFHURZJHCGH-YPAWHYETSA-N 2 0 381.495 4.088 20 0 GIADRP C[C@H](c1nc(Cc2ccccc2)no1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122147017 823312926 /nfs/dbraw/zinc/31/29/26/823312926.db2.gz JVJSPTDUMFEFFW-LJQANCHMSA-N 2 0 382.552 4.309 20 0 GIADRP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000122356219 823343016 /nfs/dbraw/zinc/34/30/16/823343016.db2.gz CZWPKYUKNZLFPI-MRXNPFEDSA-N 2 0 396.560 4.305 20 0 GIADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000023740869 818977805 /nfs/dbraw/zinc/97/78/05/818977805.db2.gz KFTKMNKBVIJHIG-XMMPIXPASA-N 2 0 391.559 4.239 20 0 GIADRP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccc1OC(F)F ZINC000572671144 823379676 /nfs/dbraw/zinc/37/96/76/823379676.db2.gz ROXPQGCJGQDXPQ-VQIMIIECSA-N 2 0 390.474 4.297 20 0 GIADRP Cc1cc(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn2ccnc12 ZINC000572815139 823404658 /nfs/dbraw/zinc/40/46/58/823404658.db2.gz HGSFTXNIBLOGDZ-WIYYLYMNSA-N 2 0 391.519 4.160 20 0 GIADRP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)CC1 ZINC000122811227 823416350 /nfs/dbraw/zinc/41/63/50/823416350.db2.gz FCMZNKMXOQGMQI-GOSISDBHSA-N 2 0 392.609 4.176 20 0 GIADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1cccc(Cl)c1 ZINC000025702214 820016145 /nfs/dbraw/zinc/01/61/45/820016145.db2.gz KVUXDCPHWNPMSI-QGZVFWFLSA-N 2 0 385.939 4.443 20 0 GIADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000123007024 823447290 /nfs/dbraw/zinc/44/72/90/823447290.db2.gz DUSLFJRDHSSCGJ-GOSISDBHSA-N 2 0 392.547 4.417 20 0 GIADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000177419179 823458313 /nfs/dbraw/zinc/45/83/13/823458313.db2.gz QWNCNESOVKVPSA-RTBURBONSA-N 2 0 394.563 4.026 20 0 GIADRP COc1cccc([C@H](C)[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000177400766 823453870 /nfs/dbraw/zinc/45/38/70/823453870.db2.gz LXMUMLVFYSDSKE-FQEVSTJZSA-N 2 0 382.548 4.417 20 0 GIADRP Cc1ccc(NC(=O)[C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)c(C)c1 ZINC000028899294 820369372 /nfs/dbraw/zinc/36/93/72/820369372.db2.gz YWHQAPJHRZGGEO-FQEVSTJZSA-N 2 0 379.548 4.406 20 0 GIADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)c1 ZINC000030631263 820654404 /nfs/dbraw/zinc/65/44/04/820654404.db2.gz VKPJNHDMMCKXMK-UHFFFAOYSA-N 2 0 397.526 4.286 20 0 GIADRP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)o1 ZINC000030907099 820706263 /nfs/dbraw/zinc/70/62/63/820706263.db2.gz CJZRJZKYMVJNPC-GOSISDBHSA-N 2 0 376.504 4.015 20 0 GIADRP c1csc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000030907155 820706673 /nfs/dbraw/zinc/70/66/73/820706673.db2.gz ARWSCLQDWVQIKK-LJQANCHMSA-N 2 0 392.572 4.234 20 0 GIADRP CC[NH+](CC)[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(C(F)(F)F)c1 ZINC000123453647 823510499 /nfs/dbraw/zinc/51/04/99/823510499.db2.gz IYCMDLXPPNHJIL-LZQZEXGQSA-N 2 0 399.501 4.029 20 0 GIADRP COc1ccc2cc([C@H](C)[NH2+]Cc3ccccc3C[N@@H+]3CC[C@H](O)C3)ccc2c1 ZINC000180644046 821379712 /nfs/dbraw/zinc/37/97/12/821379712.db2.gz NHCCRYPLBNWPEF-UUOWRZLLSA-N 2 0 390.527 4.266 20 0 GIADRP C[NH+](C)C1CCN(CC[NH2+][C@@H](c2ccc(F)cc2)c2ccccc2Cl)CC1 ZINC000180711754 821410727 /nfs/dbraw/zinc/41/07/27/821410727.db2.gz KUOHJLWYPFKEFM-QFIPXVFZSA-N 2 0 389.946 4.184 20 0 GIADRP CC[NH+](CC)CCCC1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)CC1 ZINC000180755420 821436226 /nfs/dbraw/zinc/43/62/26/821436226.db2.gz LWVXKRMZBFVLLW-UHFFFAOYSA-N 2 0 399.579 4.469 20 0 GIADRP CC(C)[C@H](CSc1ccccc1)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000180960495 821557197 /nfs/dbraw/zinc/55/71/97/821557197.db2.gz LJMNHMCWBVHNPV-BDTNDASRSA-N 2 0 376.610 4.161 20 0 GIADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCc2nc3cc(F)ccc3n2C)cc1 ZINC000181002548 821586310 /nfs/dbraw/zinc/58/63/10/821586310.db2.gz CNHNEGWNIPIQKH-OAHLLOKOSA-N 2 0 377.467 4.100 20 0 GIADRP COCCc1nc(C)c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)s1 ZINC000181417311 821814805 /nfs/dbraw/zinc/81/48/05/821814805.db2.gz GGWQRYQEOUVYGC-BRIRTLKKSA-N 2 0 399.604 4.487 20 0 GIADRP COc1cccc2cc([C@@H](C)[NH2+]Cc3ccccc3C[NH+]3CCC(O)CC3)oc21 ZINC000181861250 822019232 /nfs/dbraw/zinc/01/92/32/822019232.db2.gz QDSFIOHBXREZEI-QGZVFWFLSA-N 2 0 394.515 4.249 20 0 GIADRP COc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)OCO3)cc1C[NH+]1CCCCC1 ZINC000182192388 822140305 /nfs/dbraw/zinc/14/03/05/822140305.db2.gz FRRYKPQZAOXAEE-KRWDZBQOSA-N 2 0 382.504 4.261 20 0 GIADRP COc1ccc([C@@H](C)[NH2+]CCCn2nc(C)cc2C)cc1C[NH+]1CCCCC1 ZINC000182220608 822153291 /nfs/dbraw/zinc/15/32/91/822153291.db2.gz RMBCLZXLFCXVMW-HXUWFJFHSA-N 2 0 384.568 4.235 20 0 GIADRP CCCOc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000182236864 822160282 /nfs/dbraw/zinc/16/02/82/822160282.db2.gz MOFGOMSSNPPWNS-WMZHIEFXSA-N 2 0 382.548 4.283 20 0 GIADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cnc2ccsc2c1 ZINC000182238970 822161857 /nfs/dbraw/zinc/16/18/57/822161857.db2.gz OYAPLSBAMUZKGM-OXQOHEQNSA-N 2 0 381.545 4.104 20 0 GIADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(F)c(Cl)c1 ZINC000182248641 822167341 /nfs/dbraw/zinc/16/73/41/822167341.db2.gz MQDYODXHAQGREY-HNAYVOBHSA-N 2 0 376.903 4.287 20 0 GIADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]Cc2ccc(NC(C)=O)cc2)ccc1OC ZINC000182259435 822173168 /nfs/dbraw/zinc/17/31/68/822173168.db2.gz QCWFINKPEKUCGM-QGZVFWFLSA-N 2 0 383.536 4.346 20 0 GIADRP COc1ccccc1[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)C1CCCC1 ZINC000182263763 822176830 /nfs/dbraw/zinc/17/68/30/822176830.db2.gz DYKQASOVTFYCAH-WIOPSUGQSA-N 2 0 394.559 4.283 20 0 GIADRP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccccc1OC(F)F ZINC000182267923 822179024 /nfs/dbraw/zinc/17/90/24/822179024.db2.gz ORJDKRTZRTYEAT-ICSRJNTNSA-N 2 0 390.474 4.096 20 0 GIADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC000182272232 822181342 /nfs/dbraw/zinc/18/13/42/822181342.db2.gz YPIKTYKMMCWCHC-APWZRJJASA-N 2 0 390.474 4.014 20 0 GIADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C2CCN(c3ccccn3)CC2)ccc1OC ZINC000182437591 822242717 /nfs/dbraw/zinc/24/27/17/822242717.db2.gz UJMAYYCRVGGTRA-IBGZPJMESA-N 2 0 396.579 4.252 20 0 GIADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C2CCN(c3ccccn3)CC2)ccc1OC ZINC000182437571 822242978 /nfs/dbraw/zinc/24/29/78/822242978.db2.gz UJMAYYCRVGGTRA-LJQANCHMSA-N 2 0 396.579 4.252 20 0 GIADRP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)cc1NC(C)=O ZINC000177979155 822267302 /nfs/dbraw/zinc/26/73/02/822267302.db2.gz DOXSGARMGATSLK-QGZVFWFLSA-N 2 0 383.536 4.345 20 0 GIADRP COc1ccc([C@H](C)[NH2+]C[C@H](O)c2ccccc2OC)cc1C[NH+]1CCCCC1 ZINC000182537900 822289668 /nfs/dbraw/zinc/28/96/68/822289668.db2.gz XOUKEQKAWROMNB-AVRDEDQJSA-N 2 0 398.547 4.074 20 0 GIADRP CC[C@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccc2c(c1)OCCO2 ZINC000178478977 822383176 /nfs/dbraw/zinc/38/31/76/822383176.db2.gz LNTZQYVIQAYHRF-UTKZUKDTSA-N 2 0 384.520 4.200 20 0 GIADRP COc1cccc([C@H](O)C[NH2+][C@@H](C)c2ccc(OC)c(C[NH+]3CCCCC3)c2)c1 ZINC000182944083 822397624 /nfs/dbraw/zinc/39/76/24/822397624.db2.gz UYNVOQPOZTZMEC-FDDCHVKYSA-N 2 0 398.547 4.074 20 0 GIADRP C[NH+](C)CC1CCC(NC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CC1 ZINC000178769527 822408542 /nfs/dbraw/zinc/40/85/42/822408542.db2.gz UIRDWLYUPXCDTE-UHFFFAOYSA-N 2 0 393.575 4.169 20 0 GIADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)c2sc(C)nc2C)CC1 ZINC000178770527 822408564 /nfs/dbraw/zinc/40/85/64/822408564.db2.gz RQUXDZYHBPWTCT-GJZGRUSLSA-N 2 0 390.572 4.453 20 0 GIADRP COc1cc([C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc(OC)c1OC ZINC000183185315 822437453 /nfs/dbraw/zinc/43/74/53/822437453.db2.gz HKWCPJNUYKKQCL-BRWVUGGUSA-N 2 0 376.541 4.016 20 0 GIADRP CC(C)(C)[NH+]1CCC(Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)CC1 ZINC000183188329 822438148 /nfs/dbraw/zinc/43/81/48/822438148.db2.gz OLPVXZGBTWBDQM-UHFFFAOYSA-N 2 0 386.584 4.176 20 0 GIADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)c2ccc(Cl)nc2)CC1 ZINC000179121734 822440515 /nfs/dbraw/zinc/44/05/15/822440515.db2.gz WEQGBJUAIYSVAS-HOTGVXAUSA-N 2 0 390.934 4.428 20 0 GIADRP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000179392403 822476065 /nfs/dbraw/zinc/47/60/65/822476065.db2.gz FWAUYRSMKBMEAV-FQEVSTJZSA-N 2 0 394.563 4.264 20 0 GIADRP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000179468384 822487041 /nfs/dbraw/zinc/48/70/41/822487041.db2.gz BYGWFFAJBPMMBT-MRXNPFEDSA-N 2 0 393.560 4.476 20 0 GIADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)ccn1 ZINC000179511067 822493669 /nfs/dbraw/zinc/49/36/69/822493669.db2.gz UNHPMEHYVJLJJL-KRWDZBQOSA-N 2 0 380.319 4.106 20 0 GIADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000179756205 822544277 /nfs/dbraw/zinc/54/42/77/822544277.db2.gz UWAFQTMVWXBYJP-YKSBVNFPSA-N 2 0 378.564 4.390 20 0 GIADRP CC1CC[NH+](CCc2cccc(NC(=O)NC3CC[NH+](C4CCC4)CC3)c2)CC1 ZINC000455066232 822583807 /nfs/dbraw/zinc/58/38/07/822583807.db2.gz WZWNSIQUBXGJGL-UHFFFAOYSA-N 2 0 398.595 4.099 20 0 GIADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)c3nc4ccccc4n3C)CC2)cc1 ZINC000180072253 822609695 /nfs/dbraw/zinc/60/96/95/822609695.db2.gz BNJXLZUWJDHYLI-GOSISDBHSA-N 2 0 392.547 4.145 20 0 GIADRP CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180153454 822628242 /nfs/dbraw/zinc/62/82/42/822628242.db2.gz OHXRUEVIEQTNRQ-IHWFROFDSA-N 2 0 387.568 4.075 20 0 GIADRP CCC(CC)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000180374916 822671746 /nfs/dbraw/zinc/67/17/46/822671746.db2.gz CFKBUMBIEAVTTH-URXFXBBRSA-N 2 0 387.612 4.290 20 0 GIADRP C[C@@H]1[C@@H](NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000455835286 822733973 /nfs/dbraw/zinc/73/39/73/822733973.db2.gz ACFMCGUMDHSOIZ-MQNAVGNWSA-N 2 0 392.547 4.020 20 0 GIADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455875173 822740927 /nfs/dbraw/zinc/74/09/27/822740927.db2.gz APUKJWQEQAARRY-QHCPKHFHSA-N 2 0 394.563 4.397 20 0 GIADRP CC[NH+](CC)[C@H](CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccco1 ZINC000455937379 822753316 /nfs/dbraw/zinc/75/33/16/822753316.db2.gz SIHJFEGFINVWJR-WOJBJXKFSA-N 2 0 384.524 4.033 20 0 GIADRP COc1ccc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)cc1OC ZINC000174450417 822791390 /nfs/dbraw/zinc/79/13/90/822791390.db2.gz QZVPXNRXTWUAAD-UHFFFAOYSA-N 2 0 380.488 4.219 20 0 GIADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3ccc(C[NH+]4CCCCC4)cc3)ccc21 ZINC000456334598 822799538 /nfs/dbraw/zinc/79/95/38/822799538.db2.gz VOSYOLGOKOYIRF-HSZRJFAPSA-N 2 0 377.532 4.474 20 0 GIADRP C[C@H]1C[C@@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC[N@@H+]1C ZINC000174516974 822799968 /nfs/dbraw/zinc/79/99/68/822799968.db2.gz BJGZHSHSGRNPJF-UWJYYQICSA-N 2 0 378.495 4.251 20 0 GIADRP C[C@H](C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)[NH+]1CCCCCC1 ZINC000456797636 822832136 /nfs/dbraw/zinc/83/21/36/822832136.db2.gz XRWYIEPLHSDLOT-MRXNPFEDSA-N 2 0 393.959 4.016 20 0 GIADRP COc1ccsc1[C@@H](C)[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000186186651 822859234 /nfs/dbraw/zinc/85/92/34/822859234.db2.gz BSIWUZZKSLZDJI-GOSISDBHSA-N 2 0 388.577 4.479 20 0 GIADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000174960096 822861590 /nfs/dbraw/zinc/86/15/90/822861590.db2.gz KJEKSQYXMCJCIZ-HXUWFJFHSA-N 2 0 395.547 4.471 20 0 GIADRP Brc1ccccc1-c1cnc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)o1 ZINC000568986559 822867697 /nfs/dbraw/zinc/86/76/97/822867697.db2.gz DFFUAVVMMQOYIW-KRWDZBQOSA-N 2 0 390.325 4.068 20 0 GIADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(-c2c(F)cccc2F)cc1 ZINC000569127929 822882191 /nfs/dbraw/zinc/88/21/91/822882191.db2.gz JESQGKDNRIIOQE-SFHVURJKSA-N 2 0 387.518 4.310 20 0 GIADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)CC[N@@H+]1Cc1ccccc1 ZINC000186393434 822887065 /nfs/dbraw/zinc/88/70/65/822887065.db2.gz VIQDSFCZZKJYBP-GCJKJVERSA-N 2 0 380.532 4.474 20 0 GIADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)CC[N@@H+]1Cc1ccccc1 ZINC000186393394 822887143 /nfs/dbraw/zinc/88/71/43/822887143.db2.gz VIQDSFCZZKJYBP-XMSQKQJNSA-N 2 0 380.532 4.474 20 0 GIADRP COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000569364220 822911660 /nfs/dbraw/zinc/91/16/60/822911660.db2.gz GOBHTIYDDUGVLR-BZRIBIQUSA-N 2 0 386.580 4.040 20 0 GIADRP Cc1ccccc1COc1ccc([C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000186566184 822914406 /nfs/dbraw/zinc/91/44/06/822914406.db2.gz YNHIMQXDHFARSQ-VXKWHMMOSA-N 2 0 395.591 4.251 20 0 GIADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CC[C@H]([NH3+])c2ccccc2)cc1 ZINC000569451755 822925104 /nfs/dbraw/zinc/92/51/04/822925104.db2.gz CDWGPJRUISJFPL-CVDCTZTESA-N 2 0 379.548 4.157 20 0 GIADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)c1cccc(-n2ccnn2)c1 ZINC000569836624 822974213 /nfs/dbraw/zinc/97/42/13/822974213.db2.gz XHTVQZRZWKWBML-PMACEKPBSA-N 2 0 389.547 4.493 20 0 GIADRP CC[NH+]1CCC(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000570067939 823002929 /nfs/dbraw/zinc/00/29/29/823002929.db2.gz VCJBVSUTUQOTGW-UHFFFAOYSA-N 2 0 380.561 4.422 20 0 GIADRP c1ccn2c(c1)nnc2[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411301695 823563261 /nfs/dbraw/zinc/56/32/61/823563261.db2.gz ZKXNTHNJKPACTE-QFIPXVFZSA-N 2 0 389.547 4.095 20 0 GIADRP COc1cc(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)cc(OC)c1 ZINC000061070904 823576982 /nfs/dbraw/zinc/57/69/82/823576982.db2.gz XZNPTUHJNUWREF-OALUTQOASA-N 2 0 382.548 4.472 20 0 GIADRP C[C@@H]([NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411518418 823583719 /nfs/dbraw/zinc/58/37/19/823583719.db2.gz PGROBFCFGCTJJD-CVEARBPZSA-N 2 0 397.485 4.277 20 0 GIADRP CCc1cc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c2ccccc2[nH+]1 ZINC000124668099 823615590 /nfs/dbraw/zinc/61/55/90/823615590.db2.gz VOCIZKYAEFIXQN-UHFFFAOYSA-N 2 0 375.516 4.366 20 0 GIADRP COc1cc([C@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)ccc1SC ZINC000124737346 823622200 /nfs/dbraw/zinc/62/22/00/823622200.db2.gz KVUKKJKOMODDLT-SFHVURJKSA-N 2 0 391.625 4.018 20 0 GIADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412116330 823627638 /nfs/dbraw/zinc/62/76/38/823627638.db2.gz KHSYJXWFDXJKCF-JTHBVZDNSA-N 2 0 397.607 4.399 20 0 GIADRP OCC[NH+]1CCC(C[NH2+]Cc2ccccc2Oc2ccc(F)cc2Cl)CC1 ZINC000461414623 823631572 /nfs/dbraw/zinc/63/15/72/823631572.db2.gz JDQWLZXZQWHNBH-UHFFFAOYSA-N 2 0 392.902 4.065 20 0 GIADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)c1cccc(C[NH+]2CCCCC2)c1)c1ccco1 ZINC000412328625 823646771 /nfs/dbraw/zinc/64/67/71/823646771.db2.gz CKSMTBIXQYIVIJ-RXVVDRJESA-N 2 0 383.536 4.125 20 0 GIADRP Cc1cccn2cc(COc3ccc(C[NH2+]C[C@@H]4CC[N@@H+](C(C)C)C4)cc3)nc12 ZINC000063319228 823661906 /nfs/dbraw/zinc/66/19/06/823661906.db2.gz CRMDPQJIALCBNE-NRFANRHFSA-N 2 0 392.547 4.042 20 0 GIADRP Cc1cccn2cc(COc3ccc(C[NH2+]C[C@@H](C)C[NH+]4CCCC4)cc3)nc12 ZINC000063318961 823661944 /nfs/dbraw/zinc/66/19/44/823661944.db2.gz XFUKUHLLMCFSSL-LJQANCHMSA-N 2 0 392.547 4.043 20 0 GIADRP FC(F)(F)c1cccc(CN2CCC([NH2+]C3CC[NH+](CC4CC4)CC3)CC2)c1 ZINC000125347401 823669864 /nfs/dbraw/zinc/66/98/64/823669864.db2.gz KTAZUVNFWPPDPU-UHFFFAOYSA-N 2 0 395.513 4.134 20 0 GIADRP CC(C)[NH+]1CCC([NH2+]C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000125376555 823671425 /nfs/dbraw/zinc/67/14/25/823671425.db2.gz SYPVPYFRMLSLHT-UHFFFAOYSA-N 2 0 383.502 4.132 20 0 GIADRP O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000063745244 823693143 /nfs/dbraw/zinc/69/31/43/823693143.db2.gz BPPDXWDUPBPQQD-DEOSSOPVSA-N 2 0 397.607 4.013 20 0 GIADRP C[NH+](C)CCC1CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000163454102 823711281 /nfs/dbraw/zinc/71/12/81/823711281.db2.gz RRMDVEORSIFZLE-UHFFFAOYSA-N 2 0 376.342 4.161 20 0 GIADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)c1 ZINC000163540226 823719277 /nfs/dbraw/zinc/71/92/77/823719277.db2.gz XDSCQHGDULCJKB-SFHVURJKSA-N 2 0 381.520 4.336 20 0 GIADRP COCOc1ccc(OC)cc1C[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000163686558 823736983 /nfs/dbraw/zinc/73/69/83/823736983.db2.gz NFYCOILDUSPOJS-LJQANCHMSA-N 2 0 398.547 4.342 20 0 GIADRP CCN1CC[NH+](CCCC[NH2+][C@H](Cc2ccccc2F)c2ccccc2)CC1 ZINC000191693623 823737420 /nfs/dbraw/zinc/73/74/20/823737420.db2.gz ZQBKHNVRPXYFJV-XMMPIXPASA-N 2 0 383.555 4.117 20 0 GIADRP CCCCCCOc1cccc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000126029731 823769851 /nfs/dbraw/zinc/76/98/51/823769851.db2.gz AYNQISQVCWMFCI-UHFFFAOYSA-N 2 0 387.612 4.294 20 0 GIADRP CC(C)Oc1ccc([C@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)cc1Cl ZINC000574601855 823776997 /nfs/dbraw/zinc/77/69/97/823776997.db2.gz LXVVYDHHVMJHSK-INIZCTEOSA-N 2 0 391.943 4.313 20 0 GIADRP C[NH+]1CCC(N(Cc2ccco2)C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000413442270 823778835 /nfs/dbraw/zinc/77/88/35/823778835.db2.gz QEOOPQZXJFLSSS-UHFFFAOYSA-N 2 0 395.547 4.002 20 0 GIADRP CC1CC[NH+](Cc2ccccc2CNC(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000164582442 823809863 /nfs/dbraw/zinc/80/98/63/823809863.db2.gz BKZJCXVQPSDBOE-HSZRJFAPSA-N 2 0 379.548 4.015 20 0 GIADRP COc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1OC ZINC000165297110 823842787 /nfs/dbraw/zinc/84/27/87/823842787.db2.gz KXPAZUWKPQIKQG-FPOVZHCZSA-N 2 0 382.548 4.227 20 0 GIADRP COCc1cc([C@H](C)[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)ccc1OC ZINC000165324864 823843942 /nfs/dbraw/zinc/84/39/42/823843942.db2.gz ZNQFBVCIPIZPSW-PZJWPPBQSA-N 2 0 382.548 4.057 20 0 GIADRP C[C@H](C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000413845582 823849973 /nfs/dbraw/zinc/84/99/73/823849973.db2.gz PCQAKEFEVXEZMD-BZUAXINKSA-N 2 0 393.959 4.013 20 0 GIADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414076203 823903003 /nfs/dbraw/zinc/90/30/03/823903003.db2.gz YBKVNKFREURFER-IFMALSPDSA-N 2 0 378.004 4.374 20 0 GIADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414102310 823910324 /nfs/dbraw/zinc/91/03/24/823910324.db2.gz XJONDWDEQPSVQQ-KDXIVRHGSA-N 2 0 376.972 4.334 20 0 GIADRP C[C@@H]([NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1)c1cc2n(n1)CCC2 ZINC000414124080 823914446 /nfs/dbraw/zinc/91/44/46/823914446.db2.gz OXPVTBQYBWFVFM-HXUWFJFHSA-N 2 0 380.580 4.215 20 0 GIADRP C[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1ccc(OC(F)F)cc1OC(F)F ZINC000414145206 823918120 /nfs/dbraw/zinc/91/81/20/823918120.db2.gz APCCFIQBBBZZKJ-NSHDSACASA-N 2 0 383.345 4.388 20 0 GIADRP COCCC[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1 ZINC000414197373 823925835 /nfs/dbraw/zinc/92/58/35/823925835.db2.gz WIHLDEZCQYYGER-APWZRJJASA-N 2 0 383.374 4.238 20 0 GIADRP COCCC[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1 ZINC000414197376 823926686 /nfs/dbraw/zinc/92/66/86/823926686.db2.gz WIHLDEZCQYYGER-VQIMIIECSA-N 2 0 383.374 4.238 20 0 GIADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000414199013 823926969 /nfs/dbraw/zinc/92/69/69/823926969.db2.gz XCAYNXWRKGEHOX-UXHICEINSA-N 2 0 392.547 4.296 20 0 GIADRP Cc1nc2c(s1)[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)CCC2 ZINC000126735219 823938522 /nfs/dbraw/zinc/93/85/22/823938522.db2.gz SGOAEWWZMRCVMJ-KSSFIOAISA-N 2 0 388.556 4.071 20 0 GIADRP OC1(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000414310407 823955303 /nfs/dbraw/zinc/95/53/03/823955303.db2.gz SYWACNRTLWEDHM-JOCHJYFZSA-N 2 0 392.543 4.050 20 0 GIADRP C[C@@H]([C@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C1CCCCC1 ZINC000414321171 823958130 /nfs/dbraw/zinc/95/81/30/823958130.db2.gz DSIYWJRRTFYDMU-OALUTQOASA-N 2 0 385.596 4.078 20 0 GIADRP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1cccc(Cl)c1 ZINC000414333841 823960206 /nfs/dbraw/zinc/96/02/06/823960206.db2.gz WQAXTBBGWJKUBY-JOCHJYFZSA-N 2 0 399.966 4.278 20 0 GIADRP CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCC[NH3+])cc1 ZINC000414900994 824047588 /nfs/dbraw/zinc/04/75/88/824047588.db2.gz HVDUORAVOXQOEI-UHFFFAOYSA-N 2 0 378.520 4.155 20 0 GIADRP Clc1ccc(CCCC[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1Cl ZINC000192629922 824050330 /nfs/dbraw/zinc/05/03/30/824050330.db2.gz NQZJLQANAVGDBB-QGZVFWFLSA-N 2 0 385.379 4.407 20 0 GIADRP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414965388 824054719 /nfs/dbraw/zinc/05/47/19/824054719.db2.gz FSBJPHUQZYOJQF-CHWSQXEVSA-N 2 0 391.865 4.198 20 0 GIADRP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414965391 824054752 /nfs/dbraw/zinc/05/47/52/824054752.db2.gz FSBJPHUQZYOJQF-OLZOCXBDSA-N 2 0 391.865 4.198 20 0 GIADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC4(CCCc5ccccc54)CC3)c2)CC1 ZINC001164388007 718814057 /nfs/dbraw/zinc/81/40/57/718814057.db2.gz LVKBZIJYGFSJBA-UHFFFAOYSA-N 2 0 391.559 4.429 20 0 GIADRP Cc1[nH+]c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc2[nH]ccc21 ZINC001165026774 721821170 /nfs/dbraw/zinc/82/11/70/721821170.db2.gz QEPLTZAUTKVIKN-XJABCFGWSA-N 2 0 375.520 4.003 20 0 GIADRP OCC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccc(Cl)cc1 ZINC000570592686 823059206 /nfs/dbraw/zinc/05/92/06/823059206.db2.gz GJTJRNOGCUZGPZ-FCJDFRRUSA-N 2 0 384.951 4.264 20 0 GIADRP c1cc2cccc(C[NH2+]C[C@H]3C[N@H+](Cc4ccccc4)CC34CCOCC4)c2[nH]1 ZINC000570616327 823062777 /nfs/dbraw/zinc/06/27/77/823062777.db2.gz CDBUWZUTHYOXGL-QHCPKHFHSA-N 2 0 389.543 4.186 20 0 GIADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000120792171 823064960 /nfs/dbraw/zinc/06/49/60/823064960.db2.gz KIYWUWMQXMEPCK-LJQANCHMSA-N 2 0 380.561 4.091 20 0 GIADRP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000120847810 823075911 /nfs/dbraw/zinc/07/59/11/823075911.db2.gz UYJGIHLVVAKWPI-OAHLLOKOSA-N 2 0 384.499 4.022 20 0 GIADRP CC(C)(C(=O)NCc1ccccc1C[NH+]1CCCCC1)[C@H]([NH3+])c1ccccc1 ZINC000570838824 823094005 /nfs/dbraw/zinc/09/40/05/823094005.db2.gz ZCHZKAKOSIGHDG-JOCHJYFZSA-N 2 0 379.548 4.015 20 0 GIADRP Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)o1 ZINC000120974395 823095846 /nfs/dbraw/zinc/09/58/46/823095846.db2.gz RLTZEZFCZNBKQP-UHFFFAOYSA-N 2 0 378.520 4.500 20 0 GIADRP C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F)C[NH+]1CCCCC1 ZINC000121106390 823119746 /nfs/dbraw/zinc/11/97/46/823119746.db2.gz ZMFWRQMJPKOHSX-CVEARBPZSA-N 2 0 385.474 4.134 20 0 GIADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)CCCS2 ZINC000187789518 823133565 /nfs/dbraw/zinc/13/35/65/823133565.db2.gz NRPMMQLDCVDSAX-NRFANRHFSA-N 2 0 386.561 4.352 20 0 GIADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(-c3ccccc3OC)cc2)CC1 ZINC000121184945 823134328 /nfs/dbraw/zinc/13/43/28/823134328.db2.gz RNSVPIWRBOYHBJ-RTWAWAEBSA-N 2 0 395.591 4.286 20 0 GIADRP C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000121225793 823142182 /nfs/dbraw/zinc/14/21/82/823142182.db2.gz TZNCJEDZZWGSQP-XXBNENTESA-N 2 0 394.563 4.265 20 0 GIADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000459371526 823175090 /nfs/dbraw/zinc/17/50/90/823175090.db2.gz IHQDYNAADWWFME-FQEVSTJZSA-N 3 0 378.564 4.215 20 0 GIADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)cc1 ZINC000459382223 823178503 /nfs/dbraw/zinc/17/85/03/823178503.db2.gz SNAIXVQULDDYGY-FQEVSTJZSA-N 2 0 381.564 4.043 20 0 GIADRP Oc1cccc(CNC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1Br ZINC000459393092 823181700 /nfs/dbraw/zinc/18/17/00/823181700.db2.gz VIDOQFYMLOERKL-AWEZNQCLSA-N 2 0 395.366 4.218 20 0 GIADRP C[NH+](C)CC1CCC([NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000459445286 823193778 /nfs/dbraw/zinc/19/37/78/823193778.db2.gz GRGZHKIXUFPHOK-UHFFFAOYSA-N 2 0 381.568 4.270 20 0 GIADRP C[C@@H](NC1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCCC1)c1ccccc1 ZINC000459446932 823193861 /nfs/dbraw/zinc/19/38/61/823193861.db2.gz PWRMGNDFFJHAID-HXUWFJFHSA-N 2 0 378.564 4.304 20 0 GIADRP Brc1cccc2[nH]cc(CC[NH2+]C3CCN(c4cc[nH+]cc4)CC3)c21 ZINC000459568320 823222146 /nfs/dbraw/zinc/22/21/46/823222146.db2.gz VXRWMEDESHLAPJ-UHFFFAOYSA-N 2 0 399.336 4.127 20 0 GIADRP C[C@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)c1cccc(OCC[NH+](C)C)c1 ZINC000121835074 823259807 /nfs/dbraw/zinc/25/98/07/823259807.db2.gz QEFZJSRUVIQEGY-OALUTQOASA-N 2 0 378.520 4.225 20 0 GIADRP Cc1c(F)cccc1NC(=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000572356833 823326788 /nfs/dbraw/zinc/32/67/88/823326788.db2.gz XWOYTDJOOYNROM-SEJPIABJSA-N 2 0 395.522 4.248 20 0 GIADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000460282127 823339093 /nfs/dbraw/zinc/33/90/93/823339093.db2.gz OTJCKBKVHKNBOD-FQEVSTJZSA-N 2 0 377.617 4.002 20 0 GIADRP CN1CC[NH+](CCCC[NH2+][C@@H](Cc2ccccc2Cl)c2cccs2)CC1 ZINC000572552213 823359613 /nfs/dbraw/zinc/35/96/13/823359613.db2.gz JZGKGRJLVVUEBE-FQEVSTJZSA-N 2 0 392.012 4.303 20 0 GIADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000177370352 823447337 /nfs/dbraw/zinc/44/73/37/823447337.db2.gz XHEZAUNVBHRBIW-LJQANCHMSA-N 2 0 391.515 4.419 20 0 GIADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000026485370 820104025 /nfs/dbraw/zinc/10/40/25/820104025.db2.gz ZVEVOJZNGZWMSI-WIYYLYMNSA-N 2 0 397.588 4.054 20 0 GIADRP C[N@@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)[C@H]1c1ccccc1 ZINC000573205843 823465346 /nfs/dbraw/zinc/46/53/46/823465346.db2.gz DYCUZKCIPVHTJR-KMDXXIMOSA-N 2 0 375.560 4.219 20 0 GIADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000460655247 823468164 /nfs/dbraw/zinc/46/81/64/823468164.db2.gz LESHAWYNTIAUMD-JOCHJYFZSA-N 2 0 397.563 4.038 20 0 GIADRP Cc1ccc(NC(=O)[C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)cc1F ZINC000028899440 820370007 /nfs/dbraw/zinc/37/00/07/820370007.db2.gz XHQRJFRVYJHACZ-SFHVURJKSA-N 2 0 383.511 4.237 20 0 GIADRP COc1ccc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)cc1OCc1cccnc1 ZINC000030631245 820654499 /nfs/dbraw/zinc/65/44/99/820654499.db2.gz LBUCWYCFCISTOR-UHFFFAOYSA-N 2 0 391.515 4.021 20 0 GIADRP Fc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000030913892 820707610 /nfs/dbraw/zinc/70/76/10/820707610.db2.gz FKTNZNUZWHFRTM-UHFFFAOYSA-N 2 0 389.518 4.438 20 0 GIADRP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(I)cc1 ZINC000037786429 821093762 /nfs/dbraw/zinc/09/37/62/821093762.db2.gz ZIHVZODNEZDFTD-ZDUSSCGKSA-N 2 0 386.321 4.205 20 0 GIADRP c1csc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000042229102 821288426 /nfs/dbraw/zinc/28/84/26/821288426.db2.gz MIWNFUVDBNKHBQ-KRWDZBQOSA-N 2 0 378.545 4.175 20 0 GIADRP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000180976749 821568946 /nfs/dbraw/zinc/56/89/46/821568946.db2.gz WIIAWUNKMNJDOT-WMZHIEFXSA-N 2 0 391.559 4.159 20 0 GIADRP CCc1c2ccccc2oc1[C@H](C)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000181669998 821935733 /nfs/dbraw/zinc/93/57/33/821935733.db2.gz JDGXIZGOEHEIBT-KRWDZBQOSA-N 2 0 393.531 4.137 20 0 GIADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000182131442 822109136 /nfs/dbraw/zinc/10/91/36/822109136.db2.gz JCNOIGZBQCAHBY-FGZHOGPDSA-N 2 0 399.623 4.163 20 0 GIADRP COc1cccc2cc([C@H](C)[NH2+]Cc3ccccc3C[N@@H+]3CCC[C@@H]3CO)oc21 ZINC000182237398 822161167 /nfs/dbraw/zinc/16/11/67/822161167.db2.gz BCIPPXRWIHTGCP-LAUBAEHRSA-N 2 0 394.515 4.249 20 0 GIADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000182259264 822172830 /nfs/dbraw/zinc/17/28/30/822172830.db2.gz SBKBWHMTQCJFKJ-OXJNMPFZSA-N 2 0 391.342 4.337 20 0 GIADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCCC3)nc2)ccc1OC ZINC000182344667 822209041 /nfs/dbraw/zinc/20/90/41/822209041.db2.gz IGNXDYYEGOHCAX-LJQANCHMSA-N 2 0 396.579 4.383 20 0 GIADRP C[C@H]([NH2+]Cc1cccc(Br)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178162354 822337572 /nfs/dbraw/zinc/33/75/72/822337572.db2.gz ACFJBSYJFGQGJS-HNNXBMFYSA-N 2 0 377.326 4.240 20 0 GIADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCSc3c(F)cccc32)CC1 ZINC000178306913 822365645 /nfs/dbraw/zinc/36/56/45/822365645.db2.gz DSHOFFTYIPXTRS-OAQYLSRUSA-N 2 0 386.536 4.109 20 0 GIADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000178603402 822395575 /nfs/dbraw/zinc/39/55/75/822395575.db2.gz CTUSOIYDBOGZDU-MRXNPFEDSA-N 2 0 394.401 4.128 20 0 GIADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C[C@](C)(O)c2ccsc2)ccc1OC ZINC000183011046 822410836 /nfs/dbraw/zinc/41/08/36/822410836.db2.gz TVUIKSWMRYTVOZ-KKSFZXQISA-N 2 0 376.566 4.157 20 0 GIADRP COC1CCC([NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000183134595 822428877 /nfs/dbraw/zinc/42/88/77/822428877.db2.gz OXIDFSXDLDQDRW-UHFFFAOYSA-N 2 0 393.575 4.056 20 0 GIADRP CC1CC[NH+](Cc2ccccc2CNC(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000046007999 822433973 /nfs/dbraw/zinc/43/39/73/822433973.db2.gz FXFOMGUHFQSKKV-UHFFFAOYSA-N 2 0 394.563 4.302 20 0 GIADRP COc1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc(OC)c1OC ZINC000183185298 822437461 /nfs/dbraw/zinc/43/74/61/822437461.db2.gz HKWCPJNUYKKQCL-IXDOHACOSA-N 2 0 376.541 4.016 20 0 GIADRP C[C@@H]([NH2+]C1CCC2(CC1)c1ccccc1NC2=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183191224 822438698 /nfs/dbraw/zinc/43/86/98/822438698.db2.gz YGBLUOQBJFFECZ-BFWSRPDNSA-N 2 0 381.564 4.062 20 0 GIADRP COCCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1OC ZINC000183190940 822438758 /nfs/dbraw/zinc/43/87/58/822438758.db2.gz MSDPVXLURZEDRV-CMKODMSKSA-N 2 0 390.568 4.024 20 0 GIADRP COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1Cn1cccn1 ZINC000183198912 822440059 /nfs/dbraw/zinc/44/00/59/822440059.db2.gz PLHVTKAMJITPEJ-QKNQBKEWSA-N 2 0 396.579 4.244 20 0 GIADRP C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccc(Cl)nc1 ZINC000179121697 822440531 /nfs/dbraw/zinc/44/05/31/822440531.db2.gz XVNVTEXFQYXSRM-HUUCEWRRSA-N 2 0 376.907 4.038 20 0 GIADRP COc1ccc([C@@H](C)[NH2+]CC2(SC)CCOCC2)cc1C[NH+]1CCCCC1 ZINC000183304374 822456078 /nfs/dbraw/zinc/45/60/78/822456078.db2.gz APZPLGCVGWVDFB-GOSISDBHSA-N 2 0 392.609 4.244 20 0 GIADRP COc1cc(OC)c([C@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1Cl ZINC000179469935 822487250 /nfs/dbraw/zinc/48/72/50/822487250.db2.gz BILFWSLQEWATIE-HNNXBMFYSA-N 2 0 389.927 4.319 20 0 GIADRP CN1CC[C@@H](C[NH2+]C2CC[NH+](C(C)(C)C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000179508460 822493228 /nfs/dbraw/zinc/49/32/28/822493228.db2.gz NNYGNIWHRMVCSO-OXJNMPFZSA-N 2 0 381.967 4.324 20 0 GIADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CC3(CCCCC3)Oc3ccccc32)ccn1 ZINC000179509530 822493336 /nfs/dbraw/zinc/49/33/36/822493336.db2.gz PZTJXIPIRIREMD-OAQYLSRUSA-N 2 0 395.547 4.338 20 0 GIADRP OC1CC[NH+](Cc2ccccc2C[NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000183726810 822517489 /nfs/dbraw/zinc/51/74/89/822517489.db2.gz MWJAZXWSTPCMNL-UHFFFAOYSA-N 2 0 384.486 4.102 20 0 GIADRP CC[NH+](CC)[C@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000047302573 822563431 /nfs/dbraw/zinc/56/34/31/822563431.db2.gz DCEWCFYJWPKTHO-XMMPIXPASA-N 2 0 393.575 4.098 20 0 GIADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)c1 ZINC000180086749 822612505 /nfs/dbraw/zinc/61/25/05/822612505.db2.gz DFLIUJZPGZJNKL-QHCPKHFHSA-N 2 0 397.538 4.138 20 0 GIADRP CC[NH+]1CCN(CCC[NH2+][C@H](c2ccc(F)cc2)c2ccccc2Cl)CC1 ZINC000180108676 822616743 /nfs/dbraw/zinc/61/67/43/822616743.db2.gz HCDLOMHEMQMGJP-JOCHJYFZSA-N 2 0 389.946 4.186 20 0 GIADRP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CCc3c2cccc3Br)ccc1F ZINC000180113314 822617918 /nfs/dbraw/zinc/61/79/18/822617918.db2.gz PKTHWQWDJJQMTJ-LJQANCHMSA-N 2 0 377.301 4.427 20 0 GIADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000180135362 822623576 /nfs/dbraw/zinc/62/35/76/822623576.db2.gz RCKMNCBMXVNGIN-VCWRXUFXSA-N 2 0 381.605 4.170 20 0 GIADRP Cc1ccc([C@@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c2ccccc2)cc1 ZINC000180138546 822624394 /nfs/dbraw/zinc/62/43/94/822624394.db2.gz XMKPOLIMOCIKSP-VWLOTQADSA-N 2 0 386.543 4.021 20 0 GIADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000180202228 822638641 /nfs/dbraw/zinc/63/86/41/822638641.db2.gz XQDDIDIZHOMRDE-UHFFFAOYSA-N 2 0 393.575 4.039 20 0 GIADRP Cc1nccn1-c1ccc([C@H](C)NCc2ccn(-c3ccccc3F)n2)cc1 ZINC000180253508 822648720 /nfs/dbraw/zinc/64/87/20/822648720.db2.gz ZPTWURMRLTYPPK-INIZCTEOSA-N 2 0 375.451 4.356 20 0 GIADRP Cc1nccn1-c1ccc([C@@H](C)NCc2ccn(-c3ccccc3F)n2)cc1 ZINC000180253486 822648761 /nfs/dbraw/zinc/64/87/61/822648761.db2.gz ZPTWURMRLTYPPK-MRXNPFEDSA-N 2 0 375.451 4.356 20 0 GIADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000048709888 822679172 /nfs/dbraw/zinc/67/91/72/822679172.db2.gz UXGCDMNELFTETC-UHFFFAOYSA-N 2 0 384.474 4.119 20 0 GIADRP C[C@@H](C[NH2+][C@H](c1ccc(F)cc1)c1ccc(Cl)cc1)CN1CC[NH+](C)CC1 ZINC000180438336 822682189 /nfs/dbraw/zinc/68/21/89/822682189.db2.gz KRZYBTZPJKUZCT-JTSKRJEESA-N 2 0 389.946 4.042 20 0 GIADRP CC[NH+](CC)Cc1ccc(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000050025933 822714648 /nfs/dbraw/zinc/71/46/48/822714648.db2.gz BJMJWCCYAMUTTM-UHFFFAOYSA-N 2 0 379.548 4.054 20 0 GIADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)c1 ZINC000174404617 822785581 /nfs/dbraw/zinc/78/55/81/822785581.db2.gz IFUNXYOQVVEPQY-NRFANRHFSA-N 2 0 388.939 4.249 20 0 GIADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000174450656 822791452 /nfs/dbraw/zinc/79/14/52/822791452.db2.gz XWNGBFXHKDCDGF-UHFFFAOYSA-N 2 0 397.563 4.038 20 0 GIADRP CCCC[N@H+](C)CC1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000052210001 822793041 /nfs/dbraw/zinc/79/30/41/822793041.db2.gz AKZYDHKYRNCQIP-UHFFFAOYSA-N 2 0 383.939 4.252 20 0 GIADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000185872028 822828838 /nfs/dbraw/zinc/82/88/38/822828838.db2.gz KLKQAZQBFMFRGQ-INIZCTEOSA-N 2 0 377.985 4.184 20 0 GIADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2cccc(Cl)c2)s1 ZINC000185872050 822828905 /nfs/dbraw/zinc/82/89/05/822828905.db2.gz KLKQAZQBFMFRGQ-MRXNPFEDSA-N 2 0 377.985 4.184 20 0 GIADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2-c2ccccc2)[C@H](C)C1 ZINC000174782117 822836375 /nfs/dbraw/zinc/83/63/75/822836375.db2.gz FBCZESHYFIDUJP-XXBNENTESA-N 2 0 379.548 4.344 20 0 GIADRP CC[NH+](CC)Cc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000053968379 822854963 /nfs/dbraw/zinc/85/49/63/822854963.db2.gz BFUVWSIAGGVLFT-UHFFFAOYSA-N 2 0 393.575 4.231 20 0 GIADRP C[NH+](C)Cc1cccc(NC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000569175163 822888780 /nfs/dbraw/zinc/88/87/80/822888780.db2.gz DKFYRLAFSYRFIY-QFIPXVFZSA-N 2 0 394.563 4.172 20 0 GIADRP Cc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H](C)CCN2CC[NH+](C)CC2)CCC3)cc1 ZINC000186575778 822916243 /nfs/dbraw/zinc/91/62/43/822916243.db2.gz IYOYVPXBVISHHY-AZUAARDMSA-N 2 0 398.620 4.112 20 0 GIADRP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3cncc(Br)c3)cc2)CC1 ZINC000186583028 822917232 /nfs/dbraw/zinc/91/72/32/822917232.db2.gz IDFNSQJXLDMWBY-UHFFFAOYSA-N 2 0 388.353 4.366 20 0 GIADRP Cc1ccccc1[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)C1CCC(C)CC1 ZINC000569687288 822955485 /nfs/dbraw/zinc/95/54/85/822955485.db2.gz YPJLXSKTKKBUHP-CWZMJNCASA-N 2 0 381.568 4.237 20 0 GIADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000187086098 823008776 /nfs/dbraw/zinc/00/87/76/823008776.db2.gz KLOZTRHRIFUHLA-LJQANCHMSA-N 2 0 383.580 4.072 20 0 GIADRP CCN1CCC([NH+]2CCC(C(=O)Nc3cccc(C(F)(F)F)c3C)CC2)CC1 ZINC000570462798 823040974 /nfs/dbraw/zinc/04/09/74/823040974.db2.gz WSDUPFQHVVMAES-UHFFFAOYSA-N 2 0 397.485 4.149 20 0 GIADRP c1ccn2c(c1)nnc2C1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411265107 823561120 /nfs/dbraw/zinc/56/11/20/823561120.db2.gz NXVJXYYROFZCKZ-UHFFFAOYSA-N 2 0 389.547 4.095 20 0 GIADRP c1ccn2c(c1)nnc2[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411281652 823562106 /nfs/dbraw/zinc/56/21/06/823562106.db2.gz ASJFYNBPRNZHRH-JOCHJYFZSA-N 2 0 389.547 4.095 20 0 GIADRP O=C(NC1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1)C1CCCCC1 ZINC000411356721 823566108 /nfs/dbraw/zinc/56/61/08/823566108.db2.gz RJVMVBAPEZCYAC-UHFFFAOYSA-N 2 0 397.607 4.333 20 0 GIADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411492900 823581158 /nfs/dbraw/zinc/58/11/58/823581158.db2.gz DOJRGFCOCQNSDJ-TXTKFYIRSA-N 2 0 383.580 4.150 20 0 GIADRP CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000124578205 823608009 /nfs/dbraw/zinc/60/80/09/823608009.db2.gz XZOVCNXKIRCUKX-OTWHNJEPSA-N 2 0 395.547 4.105 20 0 GIADRP COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000124579080 823608050 /nfs/dbraw/zinc/60/80/50/823608050.db2.gz XZBKWPNVMZULDF-FHWLQOOXSA-N 2 0 398.547 4.164 20 0 GIADRP CCCC[N@H+](C)CC1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000412126130 823628159 /nfs/dbraw/zinc/62/81/59/823628159.db2.gz QOYWIZABFVMPDB-UHFFFAOYSA-N 2 0 385.596 4.257 20 0 GIADRP Cc1cc(C(F)(F)F)ccc1C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000190948630 823629064 /nfs/dbraw/zinc/62/90/64/823629064.db2.gz IFHWRNZURGHBJM-UHFFFAOYSA-N 2 0 392.465 4.260 20 0 GIADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H](C)c3cnn(C(C)C)c3)CC2)c1 ZINC000125338369 823668964 /nfs/dbraw/zinc/66/89/64/823668964.db2.gz GHAXCBIWVBNIPK-OAQYLSRUSA-N 2 0 383.584 4.025 20 0 GIADRP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000125456623 823677740 /nfs/dbraw/zinc/67/77/40/823677740.db2.gz VTCNMVOJLJJPNH-KRWDZBQOSA-N 2 0 399.560 4.268 20 0 GIADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000191500206 823691833 /nfs/dbraw/zinc/69/18/33/823691833.db2.gz SWQXYUVCBHELSH-OXQOHEQNSA-N 2 0 395.385 4.238 20 0 GIADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000191500222 823691845 /nfs/dbraw/zinc/69/18/45/823691845.db2.gz SWQXYUVCBHELSH-OXJNMPFZSA-N 2 0 395.385 4.238 20 0 GIADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(C)o2)C1 ZINC000063917606 823711350 /nfs/dbraw/zinc/71/13/50/823711350.db2.gz RNSLDVKSEGBUKM-LJQANCHMSA-N 2 0 378.520 4.262 20 0 GIADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)c1 ZINC000163546821 823720115 /nfs/dbraw/zinc/72/01/15/823720115.db2.gz JHPZNMSDOXIUNS-GOSISDBHSA-N 2 0 381.520 4.336 20 0 GIADRP CCN1CC[NH+](CCCC[NH2+][C@@H](Cc2ccccc2F)c2ccccc2)CC1 ZINC000191693608 823737309 /nfs/dbraw/zinc/73/73/09/823737309.db2.gz ZQBKHNVRPXYFJV-DEOSSOPVSA-N 2 0 383.555 4.117 20 0 GIADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000125952308 823751500 /nfs/dbraw/zinc/75/15/00/823751500.db2.gz LNCJHDMYEDYFPJ-KDOFPFPSSA-N 2 0 383.964 4.022 20 0 GIADRP C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000574519326 823754198 /nfs/dbraw/zinc/75/41/98/823754198.db2.gz OGOXYZFIWGLPPJ-UYAOXDASSA-N 2 0 393.531 4.127 20 0 GIADRP Cc1cccc2c1CC[C@@H]2[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000163940133 823763160 /nfs/dbraw/zinc/76/31/60/823763160.db2.gz HPJFHODVYNJIRK-VWLOTQADSA-N 2 0 394.559 4.262 20 0 GIADRP Cc1ccsc1[C@@H](C)[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000163958464 823766104 /nfs/dbraw/zinc/76/61/04/823766104.db2.gz CCLPPXMTZDLADH-GOSISDBHSA-N 2 0 388.577 4.397 20 0 GIADRP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC1CC[NH+](C)CC1 ZINC000126340127 823843898 /nfs/dbraw/zinc/84/38/98/823843898.db2.gz YZEIQKUIDUCUSI-GFCCVEGCSA-N 2 0 391.865 4.007 20 0 GIADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1)c1ccc(-n2cncn2)cc1 ZINC000126488538 823881809 /nfs/dbraw/zinc/88/18/09/823881809.db2.gz PPAZBZCLVYZLHV-FQEVSTJZSA-N 2 0 389.547 4.350 20 0 GIADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000414199010 823927259 /nfs/dbraw/zinc/92/72/59/823927259.db2.gz XCAYNXWRKGEHOX-PMACEKPBSA-N 2 0 392.547 4.296 20 0 GIADRP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cc(F)c(F)c(F)c1 ZINC000126705153 823931471 /nfs/dbraw/zinc/93/14/71/823931471.db2.gz CGYOFEOGPWLCBJ-KGLIPLIRSA-N 2 0 395.444 4.407 20 0 GIADRP CCOc1ccccc1[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000126750168 823941373 /nfs/dbraw/zinc/94/13/73/823941373.db2.gz QNZRBTQPZAJYJB-QZTJIDSGSA-N 2 0 385.527 4.388 20 0 GIADRP COc1cccc2cc([C@@H](C)[NH2+]CC3(O)CC[NH+](Cc4ccccc4)CC3)oc21 ZINC000414314420 823956344 /nfs/dbraw/zinc/95/63/44/823956344.db2.gz ZUJQBYASQSGRNQ-GOSISDBHSA-N 2 0 394.515 4.119 20 0 GIADRP CCCc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)cc1 ZINC000414335081 823960392 /nfs/dbraw/zinc/96/03/92/823960392.db2.gz XVIKBNLAEKJNEX-LJQANCHMSA-N 2 0 393.575 4.187 20 0 GIADRP CN(c1ccccc1CNc1ccc(C[NH+](C)C)cc1F)C1CC[NH+](C)CC1 ZINC000414493629 823994880 /nfs/dbraw/zinc/99/48/80/823994880.db2.gz YKOAUHHDGGQBSB-UHFFFAOYSA-N 2 0 384.543 4.030 20 0 GIADRP C[N@H+](Cc1ccccc1NC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)C1CCCCC1 ZINC000414702402 824024831 /nfs/dbraw/zinc/02/48/31/824024831.db2.gz BJUZHOZKGAWISH-FQEVSTJZSA-N 2 0 398.595 4.305 20 0 GIADRP C[N@H+](Cc1ccccc1NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)C1CCCCC1 ZINC000414716213 824026162 /nfs/dbraw/zinc/02/61/62/824026162.db2.gz RVMQKZDSJJSFQA-QHCPKHFHSA-N 2 0 384.568 4.059 20 0 GIADRP C[C@H]([NH3+])c1ccc(C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 ZINC000414816031 824039001 /nfs/dbraw/zinc/03/90/01/824039001.db2.gz YXLOIEKQEWSSEX-HNNXBMFYSA-N 2 0 375.919 4.253 20 0 GIADRP C[C@H]([NH2+]Cc1cnc(-c2ccc(Br)cc2)s1)[C@H]1CCC[NH2+]C1 ZINC000414856218 824043083 /nfs/dbraw/zinc/04/30/83/824043083.db2.gz OCORLVSHNHTQDX-JSGCOSHPSA-N 2 0 380.355 4.050 20 0 GIADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCCNc4ccccc43)cc2)C[C@H](C)O1 ZINC000192636668 824052657 /nfs/dbraw/zinc/05/26/57/824052657.db2.gz RKNOXKLCWAIURA-YDIMBITNSA-N 2 0 379.548 4.332 20 0 GIADRP Cc1[nH+]c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cc2[nH]ccc21 ZINC001164840967 720706565 /nfs/dbraw/zinc/70/65/65/720706565.db2.gz TWVROOGPDFKJPB-HXUWFJFHSA-N 2 0 390.531 4.131 20 0 GIADRP Cc1cc2[nH]ccc2c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)[nH+]1 ZINC001164908908 721710433 /nfs/dbraw/zinc/71/04/33/721710433.db2.gz ZKXGPYDASDPYLX-OAQYLSRUSA-N 2 0 397.473 4.004 20 0 GIADRP Cc1cc2[nH]ccc2c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]1 ZINC001165021593 721815251 /nfs/dbraw/zinc/81/52/51/721815251.db2.gz FBCCNKICEGEXNB-XJABCFGWSA-N 2 0 375.520 4.003 20 0 GIADRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CCc2c1ccc(OC)c2F ZINC000570547210 823052254 /nfs/dbraw/zinc/05/22/54/823052254.db2.gz ZPJGVCDZJGPZQZ-HXUWFJFHSA-N 2 0 386.511 4.332 20 0 GIADRP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cc1OCc1cccnc1 ZINC000120760136 823058675 /nfs/dbraw/zinc/05/86/75/823058675.db2.gz WLKLSUCVINVZRF-OAQYLSRUSA-N 2 0 397.563 4.127 20 0 GIADRP C[C@@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000120797232 823066046 /nfs/dbraw/zinc/06/60/46/823066046.db2.gz HYUCLYSAYKQMEL-HYBUGGRVSA-N 2 0 381.564 4.115 20 0 GIADRP C[C@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000120797066 823066074 /nfs/dbraw/zinc/06/60/74/823066074.db2.gz HYUCLYSAYKQMEL-GBXCKJPGSA-N 2 0 381.564 4.115 20 0 GIADRP CN1CCC([NH+]2CCC(CC[N@H+](C)C/C=C\c3ccc(F)c(F)c3)CC2)CC1 ZINC000570886966 823102539 /nfs/dbraw/zinc/10/25/39/823102539.db2.gz QLBUHMKBUUTNNS-ARJAWSKDSA-N 2 0 391.550 4.106 20 0 GIADRP CN(C)[C@@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)c1cccc(F)c1 ZINC000571045965 823124487 /nfs/dbraw/zinc/12/44/87/823124487.db2.gz QTIPYAKEIKVFDV-PKTZIBPZSA-N 2 0 381.539 4.215 20 0 GIADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](c2ccc(SC)cc2)[NH+](C)C)cc1 ZINC000571081420 823129094 /nfs/dbraw/zinc/12/90/94/823129094.db2.gz RZUDQROQWKGAIZ-JOCHJYFZSA-N 2 0 399.604 4.283 20 0 GIADRP C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c2sccc21 ZINC000571137466 823139521 /nfs/dbraw/zinc/13/95/21/823139521.db2.gz QKIIVIZGCRMCGN-LKUPVBHCSA-N 2 0 397.588 4.174 20 0 GIADRP CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC000571307931 823163381 /nfs/dbraw/zinc/16/33/81/823163381.db2.gz VCILBDYMBUNPBW-ZQJXTXKDSA-N 2 0 376.610 4.099 20 0 GIADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC1CCN(c2cc[nH+]cc2)CC1 ZINC000459359936 823171342 /nfs/dbraw/zinc/17/13/42/823171342.db2.gz UTTDEHVPMAIOIU-UHFFFAOYSA-N 2 0 382.577 4.020 20 0 GIADRP C[C@H]1CN(c2ccccc2C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)CCO1 ZINC000459380897 823177920 /nfs/dbraw/zinc/17/79/20/823177920.db2.gz RAYMNSRLZJHZCL-NRFANRHFSA-N 2 0 393.575 4.187 20 0 GIADRP C[C@@H](C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)C[NH+]1CCCCC1 ZINC000459396187 823182586 /nfs/dbraw/zinc/18/25/86/823182586.db2.gz VOHPUWCJBVCTHV-IBGZPJMESA-N 2 0 381.568 4.272 20 0 GIADRP Cc1ccc(Cl)cc1N1CC[C@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000459406833 823186066 /nfs/dbraw/zinc/18/60/66/823186066.db2.gz KMOBDMRBSDFACM-GOSISDBHSA-N 2 0 384.955 4.128 20 0 GIADRP C[C@H](CCc1ccco1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000571466688 823187142 /nfs/dbraw/zinc/18/71/42/823187142.db2.gz DKKBVRCDFBBLKN-IFMALSPDSA-N 2 0 382.548 4.119 20 0 GIADRP Fc1cc(Br)ccc1CCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459420643 823189002 /nfs/dbraw/zinc/18/90/02/823189002.db2.gz YIMYZQNKZAAWOT-UHFFFAOYSA-N 2 0 392.316 4.174 20 0 GIADRP Clc1ccc(N2CC[C@@H]([NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)cc1Cl ZINC000459455131 823195427 /nfs/dbraw/zinc/19/54/27/823195427.db2.gz GIQOJYVKUHREMT-MRXNPFEDSA-N 2 0 391.346 4.226 20 0 GIADRP Clc1cccc([C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)c2ccccn2)c1 ZINC000459443459 823193045 /nfs/dbraw/zinc/19/30/45/823193045.db2.gz PZMHRLVOIVSMBR-QFIPXVFZSA-N 2 0 378.907 4.478 20 0 GIADRP CC1CC[NH+](Cc2ccccc2C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000459471802 823199419 /nfs/dbraw/zinc/19/94/19/823199419.db2.gz VUZHYPXAPHSMAE-UHFFFAOYSA-N 3 0 378.564 4.072 20 0 GIADRP Clc1ccc(COCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c(Cl)c1 ZINC000459474341 823199738 /nfs/dbraw/zinc/19/97/38/823199738.db2.gz XOEYKDIDVZIGEU-UHFFFAOYSA-N 2 0 380.319 4.164 20 0 GIADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000056764015 823209085 /nfs/dbraw/zinc/20/90/85/823209085.db2.gz XGHSUDYJIRFZSF-UHFFFAOYSA-N 2 0 398.595 4.197 20 0 GIADRP COc1ccc(-c2ccccc2C)cc1C[NH2+]C(C)(C)CCN1CC[NH+](C)CC1 ZINC000459522393 823210359 /nfs/dbraw/zinc/21/03/59/823210359.db2.gz HVMPNOFCIFMYHS-UHFFFAOYSA-N 2 0 395.591 4.176 20 0 GIADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(-n2cncn2)cc1 ZINC000121655538 823223828 /nfs/dbraw/zinc/22/38/28/823223828.db2.gz DQJVCHNAZFWOCX-HXUWFJFHSA-N 2 0 389.547 4.494 20 0 GIADRP O=c1cc(C[N@@H+]2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)occ1O ZINC000571882512 823249438 /nfs/dbraw/zinc/24/94/38/823249438.db2.gz WARVRWPQHROIEJ-QFIPXVFZSA-N 2 0 396.531 4.002 20 0 GIADRP COCCCOc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000572186074 823296680 /nfs/dbraw/zinc/29/66/80/823296680.db2.gz LFRVGKIFSITSCB-JOZNFPNDSA-N 2 0 394.559 4.387 20 0 GIADRP CC1(C)CC[C@@H](C[NH+]2CCCC3(CCC[N@@H+](C[C@@H]4CCC(C)(C)O4)C3)C2)O1 ZINC000572326097 823320528 /nfs/dbraw/zinc/32/05/28/823320528.db2.gz ATNDVIGVMVKJFM-ZXTYOHMPSA-N 2 0 378.601 4.080 20 0 GIADRP [NH3+]CCCOC1CC[NH+](C/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000572404724 823333304 /nfs/dbraw/zinc/33/33/04/823333304.db2.gz VFYXEZJXBPDZCU-XBXARRHUSA-N 2 0 380.532 4.109 20 0 GIADRP COc1cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)ccc1OC(F)F ZINC000057889772 823345569 /nfs/dbraw/zinc/34/55/69/823345569.db2.gz KBVWRSIANZTJRT-UHFFFAOYSA-N 2 0 382.495 4.385 20 0 GIADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[C@H](Cc4ccccc4)C3)cc2)CC1 ZINC000189161396 823367847 /nfs/dbraw/zinc/36/78/47/823367847.db2.gz FHKFWYSFXSHBEJ-DNQXCXABSA-N 2 0 378.560 4.144 20 0 GIADRP CN(c1ccccc1C[NH2+]Cc1ccc(Cl)cc1F)C1CC[NH+](C)CC1 ZINC000189190632 823372953 /nfs/dbraw/zinc/37/29/53/823372953.db2.gz XNFBQNVJZGCICN-UHFFFAOYSA-N 2 0 375.919 4.299 20 0 GIADRP CC(C)(C)[N@@H+]1CCCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000058430251 823390333 /nfs/dbraw/zinc/39/03/33/823390333.db2.gz JJVSZEKUSLQRCU-UHFFFAOYSA-N 2 0 386.584 4.053 20 0 GIADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000177356262 823443824 /nfs/dbraw/zinc/44/38/24/823443824.db2.gz LDQYKYKOISFQCK-FQEVSTJZSA-N 2 0 383.511 4.046 20 0 GIADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CSc2ccc(Br)cc21 ZINC000573082249 823445187 /nfs/dbraw/zinc/44/51/87/823445187.db2.gz BNYHBUOVSCHMDA-ZBEGNZNMSA-N 2 0 378.339 4.109 20 0 GIADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Nc2cccc(C[NH+](C)C)c2)cc1 ZINC000410345915 823468723 /nfs/dbraw/zinc/46/87/23/823468723.db2.gz TULBBYSUZMINOX-LJQANCHMSA-N 2 0 394.563 4.444 20 0 GIADRP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000029179510 820407935 /nfs/dbraw/zinc/40/79/35/820407935.db2.gz UQLUREVGEPXPHH-XMMPIXPASA-N 2 0 391.559 4.239 20 0 GIADRP COc1cc(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)ccc1C ZINC000573290480 823476518 /nfs/dbraw/zinc/47/65/18/823476518.db2.gz ZXXWTCDDJGJBGT-UHFFFAOYSA-N 2 0 382.548 4.165 20 0 GIADRP O=C(Nc1cccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1)c1ccccc1Cl ZINC000030907103 820706906 /nfs/dbraw/zinc/70/69/06/820706906.db2.gz PMQOLDUXWCEFDQ-QGZVFWFLSA-N 2 0 383.923 4.166 20 0 GIADRP Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000030907130 820707001 /nfs/dbraw/zinc/70/70/01/820707001.db2.gz CBBDWXBHLXBSDI-GOSISDBHSA-N 2 0 390.506 4.252 20 0 GIADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000180643832 821379902 /nfs/dbraw/zinc/37/99/02/821379902.db2.gz XONNVDXLJZVANF-IZZNHLLZSA-N 2 0 386.539 4.327 20 0 GIADRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000181410816 821811198 /nfs/dbraw/zinc/81/11/98/821811198.db2.gz RDFYDJZEMSMNLW-JVPBZIDWSA-N 2 0 386.458 4.004 20 0 GIADRP COc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)c(Br)c1 ZINC000181416233 821814496 /nfs/dbraw/zinc/81/44/96/821814496.db2.gz WTSWGKCIIQSAOH-AWEZNQCLSA-N 2 0 377.326 4.370 20 0 GIADRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(Br)cc1 ZINC000181417259 821815129 /nfs/dbraw/zinc/81/51/29/821815129.db2.gz DZYZSKAZFPTOSC-UFYCRDLUSA-N 2 0 395.385 4.258 20 0 GIADRP CC1CC[NH+](C2CCC([NH2+]C3CCC4(CC3)c3ccccc3NC4=O)CC2)CC1 ZINC000181664074 821931152 /nfs/dbraw/zinc/93/11/52/821931152.db2.gz FRQMRTABOIYFGX-UHFFFAOYSA-N 2 0 395.591 4.452 20 0 GIADRP CC(C)[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccc(F)c(F)c1 ZINC000182066679 822080251 /nfs/dbraw/zinc/08/02/51/822080251.db2.gz FNOUQBSAXMCCGF-QHCPKHFHSA-N 2 0 388.502 4.408 20 0 GIADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000182131029 822109186 /nfs/dbraw/zinc/10/91/86/822109186.db2.gz LTESPTNLAPNYHN-OAQYLSRUSA-N 2 0 385.596 4.060 20 0 GIADRP COc1ccc([C@@H](C)[NH2+]C[C@@H](c2ccco2)N(C)C)cc1C[NH+]1CCCCC1 ZINC000182204678 822145872 /nfs/dbraw/zinc/14/58/72/822145872.db2.gz ZJESYOUHXDGVQC-NQIIRXRSSA-N 2 0 385.552 4.228 20 0 GIADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000182243278 822164027 /nfs/dbraw/zinc/16/40/27/822164027.db2.gz PIKBRTBSZCLPOX-OXQOHEQNSA-N 2 0 387.593 4.382 20 0 GIADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cccc(OC(F)F)c1 ZINC000182249266 822167448 /nfs/dbraw/zinc/16/74/48/822167448.db2.gz CDQFEIJMJLMVML-OXQOHEQNSA-N 2 0 390.474 4.096 20 0 GIADRP CC(C)COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000182266942 822178218 /nfs/dbraw/zinc/17/82/18/822178218.db2.gz OYDIKSAFLOACLQ-CVDCTZTESA-N 2 0 382.548 4.139 20 0 GIADRP COc1ccc([C@@H](C)[NH2+]Cc2cccc(NC(C)=O)c2)cc1C[NH+]1CCCCC1 ZINC000182425638 822239253 /nfs/dbraw/zinc/23/92/53/822239253.db2.gz OBGQJKOIPTZFRX-GOSISDBHSA-N 2 0 395.547 4.490 20 0 GIADRP COc1cc(C)c([C@H](C)[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1OC ZINC000178036850 822292754 /nfs/dbraw/zinc/29/27/54/822292754.db2.gz OXJQKMRSVAFTKZ-ROUUACIJSA-N 2 0 386.536 4.364 20 0 GIADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCC(=O)Nc2ccccc2F)CC1 ZINC000178389747 822374317 /nfs/dbraw/zinc/37/43/17/822374317.db2.gz OMGZMPNDGKEKQO-GOSISDBHSA-N 2 0 375.532 4.131 20 0 GIADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000178712553 822404911 /nfs/dbraw/zinc/40/49/11/822404911.db2.gz OBQYVHZAYJRYJR-INIZCTEOSA-N 2 0 394.401 4.128 20 0 GIADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)c2sc(C)nc2C)CC1 ZINC000178770516 822408478 /nfs/dbraw/zinc/40/84/78/822408478.db2.gz RQUXDZYHBPWTCT-CABCVRRESA-N 2 0 390.572 4.453 20 0 GIADRP COc1ccc([C@H](C)[NH2+]C[C@@](C)(O)c2cccs2)cc1C[NH+]1CCCCC1 ZINC000183006552 822410011 /nfs/dbraw/zinc/41/00/11/822410011.db2.gz OHJNGXMSNFPMNH-HTAPYJJXSA-N 2 0 388.577 4.301 20 0 GIADRP CCCOc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1 ZINC000178795471 822410772 /nfs/dbraw/zinc/41/07/72/822410772.db2.gz VTZYHQFZAJKEEV-IBGZPJMESA-N 2 0 382.548 4.283 20 0 GIADRP COc1ccc([C@H](C)[NH2+][C@@H](C)Cc2c(C)nn(C)c2C)cc1C[NH+]1CCCCC1 ZINC000183029606 822414223 /nfs/dbraw/zinc/41/42/23/822414223.db2.gz ILMCVKWLZDUQDW-ROUUACIJSA-N 2 0 398.595 4.313 20 0 GIADRP Clc1cc(Cl)cc(CN2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000183171336 822435272 /nfs/dbraw/zinc/43/52/72/822435272.db2.gz FZWXLGQXXJTARO-WOJBJXKFSA-N 2 0 382.379 4.174 20 0 GIADRP C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183193877 822439216 /nfs/dbraw/zinc/43/92/16/822439216.db2.gz NLTMXXZWFCKDTL-YQVWRLOYSA-N 2 0 384.568 4.274 20 0 GIADRP c1cc(COc2ccc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2)ccn1 ZINC000179173685 822447039 /nfs/dbraw/zinc/44/70/39/822447039.db2.gz ARHPNMLTNXALLF-ZJSXRUAMSA-N 2 0 377.532 4.109 20 0 GIADRP C[C@@H](c1nnc(-c2ccccc2)o1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179388463 822475473 /nfs/dbraw/zinc/47/54/73/822475473.db2.gz YVXMVUFSTLBKEE-SFHVURJKSA-N 2 0 391.519 4.431 20 0 GIADRP COc1cc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1F ZINC000179410511 822478908 /nfs/dbraw/zinc/47/89/08/822478908.db2.gz LODWQMFWMOCKOX-BZSNNMDCSA-N 2 0 386.511 4.294 20 0 GIADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCCSc3ccc(Cl)cc32)ccn1 ZINC000179511471 822493627 /nfs/dbraw/zinc/49/36/27/822493627.db2.gz FSZJUZAMKPOSJM-SFHVURJKSA-N 2 0 391.968 4.392 20 0 GIADRP CCN(C(=O)c1cccc(C[NH+]2CCCC2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184175440 822590956 /nfs/dbraw/zinc/59/09/56/822590956.db2.gz VXQGGIAPNMXZCX-XMMPIXPASA-N 2 0 391.559 4.019 20 0 GIADRP NC(=O)c1ccc(C[NH2+]Cc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000048711144 822679145 /nfs/dbraw/zinc/67/91/45/822679145.db2.gz WQXIREXNGAVYFP-UHFFFAOYSA-N 2 0 399.538 4.338 20 0 GIADRP C[C@H](C[NH2+][C@H](c1cccc(F)c1)c1cccc(Cl)c1)CN1CC[NH+](C)CC1 ZINC000180439847 822682416 /nfs/dbraw/zinc/68/24/16/822682416.db2.gz RVFKBJWTGOOXBU-VGSWGCGISA-N 2 0 389.946 4.042 20 0 GIADRP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2c[nH]nc2-c2cccs2)C[C@@H](C)O1 ZINC000048816670 822684456 /nfs/dbraw/zinc/68/44/56/822684456.db2.gz YNJNHUOPJZCXTC-IAGOWNOFSA-N 2 0 396.560 4.037 20 0 GIADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)[C@H](C)C1 ZINC000180550702 822700607 /nfs/dbraw/zinc/70/06/07/822700607.db2.gz SKOHVGZUHXJIKM-KNKQGSTJSA-N 2 0 383.580 4.060 20 0 GIADRP C[C@H](NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000455858221 822738241 /nfs/dbraw/zinc/73/82/41/822738241.db2.gz PBYICVMYBATVOW-ZJBJCVSYSA-N 2 0 384.568 4.010 20 0 GIADRP CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455877000 822741181 /nfs/dbraw/zinc/74/11/81/822741181.db2.gz OKUPWUROLBOYKT-QHCPKHFHSA-N 2 0 394.563 4.399 20 0 GIADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NCc3ccccc3C[NH+]3CCCC3)ccc21 ZINC000455878492 822741366 /nfs/dbraw/zinc/74/13/66/822741366.db2.gz PWJBYGUMXIINGP-QHCPKHFHSA-N 2 0 392.547 4.153 20 0 GIADRP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1ccco1 ZINC000455937370 822753341 /nfs/dbraw/zinc/75/33/41/822753341.db2.gz SIHJFEGFINVWJR-PMACEKPBSA-N 2 0 384.524 4.033 20 0 GIADRP C[C@H](OC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(Cl)cc1 ZINC000185758316 822818307 /nfs/dbraw/zinc/81/83/07/822818307.db2.gz ACRAHPZCNNEEMZ-ZHDKGAKHSA-N 2 0 394.987 4.021 20 0 GIADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)c2sccc2OC)CC1 ZINC000186154473 822856281 /nfs/dbraw/zinc/85/62/81/822856281.db2.gz RNKKMNXJVSUIOL-HOTGVXAUSA-N 2 0 391.556 4.450 20 0 GIADRP COC(=O)[C@H](Cc1ccccc1)[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000569364223 822911604 /nfs/dbraw/zinc/91/16/04/822911604.db2.gz GOBHTIYDDUGVLR-IYRWYFENSA-N 2 0 386.580 4.040 20 0 GIADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC000186590057 822918906 /nfs/dbraw/zinc/91/89/06/822918906.db2.gz HWDRULQTFGKYLC-CHWSQXEVSA-N 2 0 378.775 4.323 20 0 GIADRP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cncc(Br)c2)CC1 ZINC000186590367 822918925 /nfs/dbraw/zinc/91/89/25/822918925.db2.gz KPJHZNHRYPWZKD-UHFFFAOYSA-N 2 0 388.353 4.366 20 0 GIADRP COCCOc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000569746773 822962783 /nfs/dbraw/zinc/96/27/83/822962783.db2.gz FJUTZKWTAMWHIN-HSZRJFAPSA-N 2 0 382.548 4.104 20 0 GIADRP CCc1cccc(C[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c1 ZINC000569815641 822971975 /nfs/dbraw/zinc/97/19/75/822971975.db2.gz BDMALJKXNWQIAX-UHFFFAOYSA-N 2 0 382.548 4.028 20 0 GIADRP COc1ccc2c(c1F)CC[C@H]2[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000569916151 822985540 /nfs/dbraw/zinc/98/55/40/822985540.db2.gz UFOSIBIFWIRWEO-OAQYLSRUSA-N 2 0 384.495 4.086 20 0 GIADRP Cc1cc([C@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c2cccc(Cl)c2)c(C)s1 ZINC000570205589 823015200 /nfs/dbraw/zinc/01/52/00/823015200.db2.gz JYXHXOIOMJMAQQ-QVKFZJNVSA-N 2 0 392.012 4.333 20 0 GIADRP c1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccc(N5CCCC5)nc4)C3)CC2)cc1 ZINC000570470825 823042295 /nfs/dbraw/zinc/04/22/95/823042295.db2.gz YFUXIMQPRQEFBW-UHFFFAOYSA-N 2 0 390.575 4.170 20 0 GIADRP C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)C1 ZINC000411172908 823554355 /nfs/dbraw/zinc/55/43/55/823554355.db2.gz KDUKIAFSCYYUDH-NRFANRHFSA-N 2 0 397.607 4.143 20 0 GIADRP C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3cccc(C[NH+]4CCCCC4)c3)CC2)C1 ZINC000411174827 823554590 /nfs/dbraw/zinc/55/45/90/823554590.db2.gz PKQDXGVIBXKANB-NRFANRHFSA-N 2 0 397.607 4.143 20 0 GIADRP CC(C)[NH+]1CCC([N@H+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000411221483 823558312 /nfs/dbraw/zinc/55/83/12/823558312.db2.gz DTQLLTXOKNEXHW-UHFFFAOYSA-N 2 0 393.575 4.087 20 0 GIADRP CC(C)[NH+]1CCC([N@H+](C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000411223067 823558487 /nfs/dbraw/zinc/55/84/87/823558487.db2.gz HFGVIEBVPDEPLK-QHCPKHFHSA-N 2 0 399.604 4.148 20 0 GIADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)[C@H](C)C1 ZINC000411382761 823568158 /nfs/dbraw/zinc/56/81/58/823568158.db2.gz FSJITHKBVMZYSA-QMHWCDLVSA-N 2 0 399.604 4.006 20 0 GIADRP CC(C)n1cnnc1[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411389693 823568883 /nfs/dbraw/zinc/56/88/83/823568883.db2.gz OPHNTLHGODMODB-JOCHJYFZSA-N 2 0 381.568 4.225 20 0 GIADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411492899 823581207 /nfs/dbraw/zinc/58/12/07/823581207.db2.gz DOJRGFCOCQNSDJ-MZKRTTBSSA-N 2 0 383.580 4.150 20 0 GIADRP CC(CC[NH+]1CCC[C@H]1C1CCOCC1)CC[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000411507468 823582215 /nfs/dbraw/zinc/58/22/15/823582215.db2.gz ZRDODXMAFWLGCB-ZEQRLZLVSA-N 2 0 392.628 4.185 20 0 GIADRP C[C@@H]([NH2+]CCC(=O)Nc1ccc(Cl)cc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411512317 823582807 /nfs/dbraw/zinc/58/28/07/823582807.db2.gz APIIFRVKQLFXCE-HUUCEWRRSA-N 2 0 381.923 4.050 20 0 GIADRP CSc1ccccc1NC(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000411547339 823587284 /nfs/dbraw/zinc/58/72/84/823587284.db2.gz BZCRUXBCZVNLEX-QUCCMNQESA-N 2 0 397.588 4.237 20 0 GIADRP CC(CC[NH+]1CCC([C@H]2CCCO2)CC1)CC[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000411615171 823590922 /nfs/dbraw/zinc/59/09/22/823590922.db2.gz RLRYOUMKLUFBTH-DNQXCXABSA-N 2 0 392.628 4.185 20 0 GIADRP Cc1nc(-c2cc([C@H](C)[NH2+]CC3CC[NH+](CCN(C)C)CC3)cs2)cs1 ZINC000124436821 823596678 /nfs/dbraw/zinc/59/66/78/823596678.db2.gz JVQJBWAKNHCYHM-HNNXBMFYSA-N 2 0 392.638 4.104 20 0 GIADRP COc1ccc2oc(C[NH2+][C@H](C)c3cc(F)ccc3N3CC[NH+](C)CC3)cc2c1 ZINC000125021734 823645724 /nfs/dbraw/zinc/64/57/24/823645724.db2.gz RCKFCUVPIKDHON-MRXNPFEDSA-N 2 0 397.494 4.183 20 0 GIADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3ccccc3OCC3CC3)CC2)cc1 ZINC000063319536 823661988 /nfs/dbraw/zinc/66/19/88/823661988.db2.gz WBNRGTVDMZNIEU-UHFFFAOYSA-N 2 0 394.559 4.486 20 0 GIADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3ccc(OC(C)C)cc3)CC2)cc1 ZINC000063319559 823662165 /nfs/dbraw/zinc/66/21/65/823662165.db2.gz BACQKRWORLYNNS-UHFFFAOYSA-N 2 0 382.548 4.484 20 0 GIADRP Cc1c([C@H](C)[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)cnn1C(C)C ZINC000191327612 823672400 /nfs/dbraw/zinc/67/24/00/823672400.db2.gz JAVQHVNLXGLSKZ-FQEVSTJZSA-N 2 0 398.595 4.494 20 0 GIADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000163562446 823721990 /nfs/dbraw/zinc/72/19/90/823721990.db2.gz MERWNPSXQSFZAW-GOSISDBHSA-N 2 0 381.520 4.336 20 0 GIADRP CC[NH+](CC)CCSCC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000461867348 823728506 /nfs/dbraw/zinc/72/85/06/823728506.db2.gz QIMKUSQAGWYOPZ-GOSISDBHSA-N 2 0 377.598 4.075 20 0 GIADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000163757787 823745982 /nfs/dbraw/zinc/74/59/82/823745982.db2.gz ZNTOTRCLUQUIKJ-GOSISDBHSA-N 2 0 381.520 4.336 20 0 GIADRP Cc1cccc2c1CC[C@H]2[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000163940251 823763191 /nfs/dbraw/zinc/76/31/91/823763191.db2.gz HPJFHODVYNJIRK-RUZDIDTESA-N 2 0 394.559 4.262 20 0 GIADRP CC[C@@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccccc1 ZINC000163947775 823764337 /nfs/dbraw/zinc/76/43/37/823764337.db2.gz ZGMKBAVUHPZXIE-XMMPIXPASA-N 2 0 382.548 4.417 20 0 GIADRP C[C@H](C[NH2+][C@H]1CCCCC[C@H]1c1ccc(Cl)cc1)CN1CC[NH+](C)CC1 ZINC000574554105 823764233 /nfs/dbraw/zinc/76/42/33/823764233.db2.gz YFZMGQPIPOWNGD-COPCDDAFSA-N 2 0 378.004 4.229 20 0 GIADRP COc1ccccc1[C@@H](C)[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000163956513 823765401 /nfs/dbraw/zinc/76/54/01/823765401.db2.gz DAEUWCREBGPWLL-LJQANCHMSA-N 2 0 398.547 4.036 20 0 GIADRP C[C@H](CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000574559132 823766027 /nfs/dbraw/zinc/76/60/27/823766027.db2.gz SMPJHAOYYOCPIY-RDGATRHJSA-N 2 0 377.576 4.072 20 0 GIADRP C[C@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)c1ccc([S@](C)=O)cc1 ZINC000164511119 823805769 /nfs/dbraw/zinc/80/57/69/823805769.db2.gz LCLSWEDADCKMAR-XDBZFTIUSA-N 2 0 396.556 4.500 20 0 GIADRP CC1CC[NH+](Cc2ccccc2CNC(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000164582304 823809967 /nfs/dbraw/zinc/80/99/67/823809967.db2.gz BKZJCXVQPSDBOE-QHCPKHFHSA-N 2 0 379.548 4.015 20 0 GIADRP Fc1ccc([C@@H]2OCC[C@@H]2[NH2+]C2CCN(CCc3ccccc3)CC2)cc1F ZINC000126295483 823832608 /nfs/dbraw/zinc/83/26/08/823832608.db2.gz DQKFINHQZKVRJP-GOTSBHOMSA-N 2 0 386.486 4.092 20 0 GIADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414076204 823903039 /nfs/dbraw/zinc/90/30/39/823903039.db2.gz YBKVNKFREURFER-IRLDBZIGSA-N 2 0 378.004 4.374 20 0 GIADRP COc1cc(F)c([C@H](C)[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1OC ZINC000168537755 823903502 /nfs/dbraw/zinc/90/35/02/823903502.db2.gz HOIVPYWACISJQX-HOTGVXAUSA-N 2 0 390.499 4.195 20 0 GIADRP COc1cc(F)c([C@@H](C)[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1OC ZINC000168538043 823903814 /nfs/dbraw/zinc/90/38/14/823903814.db2.gz HOIVPYWACISJQX-HZPDHXFCSA-N 2 0 390.499 4.195 20 0 GIADRP Clc1cccc([C@@H]2CCC[C@@H]([NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)C2)c1 ZINC000414079032 823903906 /nfs/dbraw/zinc/90/39/06/823903906.db2.gz BQTPIXSOWRAAPN-SFGWALBWSA-N 2 0 376.972 4.457 20 0 GIADRP Cc1ccc(OC(F)F)c(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)c1 ZINC000168604519 823904925 /nfs/dbraw/zinc/90/49/25/823904925.db2.gz FNHRQOOMKSSSIE-MRXNPFEDSA-N 2 0 378.463 4.388 20 0 GIADRP COc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)cn1 ZINC000414108298 823912024 /nfs/dbraw/zinc/91/20/24/823912024.db2.gz GFDAXRFAWKCVKG-GOSISDBHSA-N 2 0 379.504 4.036 20 0 GIADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000414171665 823922240 /nfs/dbraw/zinc/92/22/40/823922240.db2.gz DKBHCUKWQJMPOK-CHWSQXEVSA-N 2 0 378.410 4.272 20 0 GIADRP CC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccccc1OC ZINC000126751381 823941900 /nfs/dbraw/zinc/94/19/00/823941900.db2.gz UVPDLYOIFLTSTP-DYESRHJHSA-N 2 0 385.527 4.388 20 0 GIADRP CCOc1ccc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc1 ZINC000126764037 823944953 /nfs/dbraw/zinc/94/49/53/823944953.db2.gz XOSSGAJMVZPNMK-ZWKOTPCHSA-N 2 0 385.527 4.388 20 0 GIADRP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414296378 823953709 /nfs/dbraw/zinc/95/37/09/823953709.db2.gz FIWJUHXCZYMGOQ-QGZVFWFLSA-N 2 0 388.939 4.026 20 0 GIADRP Cc1ccc(C[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C(C)C)s1 ZINC000065162413 823955160 /nfs/dbraw/zinc/95/51/60/823955160.db2.gz NDAIKMMKXYARMS-UHFFFAOYSA-N 2 0 399.604 4.179 20 0 GIADRP OC1(C[NH2+]Cc2ccc(Cl)c3cccnc23)CC[NH+](Cc2ccccc2)CC1 ZINC000414531928 824003288 /nfs/dbraw/zinc/00/32/88/824003288.db2.gz AHOQZLDFYUMPKO-UHFFFAOYSA-N 2 0 395.934 4.005 20 0 GIADRP CCOc1c(Br)cc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1OC ZINC000414808130 824038371 /nfs/dbraw/zinc/03/83/71/824038371.db2.gz KGOYNVATLMVJFX-ZDUSSCGKSA-N 2 0 393.325 4.166 20 0 GIADRP Fc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000575962643 824039331 /nfs/dbraw/zinc/03/93/31/824039331.db2.gz OFOAKIGNGHVLMA-RBBKRZOGSA-N 2 0 390.506 4.170 20 0 GIADRP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414856114 824042714 /nfs/dbraw/zinc/04/27/14/824042714.db2.gz NXJAQGYFOABSJS-FRRDWIJNSA-N 2 0 391.865 4.054 20 0 GIADRP Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)CCS2 ZINC000187536622 823084358 /nfs/dbraw/zinc/08/43/58/823084358.db2.gz YUXPLWAUDHGQTF-UNMCSNQZSA-N 2 0 382.573 4.197 20 0 GIADRP C[C@@H]([NH2+]Cc1ccccc1Br)c1ccc(OCC[NH+](C)C)cc1 ZINC000120934690 823089104 /nfs/dbraw/zinc/08/91/04/823089104.db2.gz CENPSXPLMTWLGY-OAHLLOKOSA-N 2 0 377.326 4.240 20 0 GIADRP C[C@H](C[NH2+][C@@H](C)c1ccc(-c2ccc(F)cc2)s1)CN1CC[NH+](C)CC1 ZINC000120946162 823091095 /nfs/dbraw/zinc/09/10/95/823091095.db2.gz XPTGKAIDQYJYRJ-SJORKVTESA-N 2 0 375.557 4.088 20 0 GIADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(-c2ccc(F)cc2)s1)CN1CC[NH+](C)CC1 ZINC000120946024 823091131 /nfs/dbraw/zinc/09/11/31/823091131.db2.gz XPTGKAIDQYJYRJ-IRXDYDNUSA-N 2 0 375.557 4.088 20 0 GIADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(SC2CCCC2)cc1 ZINC000121080301 823114932 /nfs/dbraw/zinc/11/49/32/823114932.db2.gz IAPTXXOYACFKJD-RBUKOAKNSA-N 2 0 375.626 4.255 20 0 GIADRP Cc1nc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)oc1-c1ccc(Cl)cc1 ZINC000571288311 823160135 /nfs/dbraw/zinc/16/01/35/823160135.db2.gz XIQURKTYSIBIHN-RBUKOAKNSA-N 2 0 389.927 4.022 20 0 GIADRP Cc1nc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)oc1-c1ccc(Cl)cc1 ZINC000571288312 823160636 /nfs/dbraw/zinc/16/06/36/823160636.db2.gz XIQURKTYSIBIHN-RTBURBONSA-N 2 0 389.927 4.022 20 0 GIADRP CC1CCN([C@@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c2cccs2)CC1 ZINC000459363763 823172871 /nfs/dbraw/zinc/17/28/71/823172871.db2.gz IOIGXBLWNIFSDB-NRFANRHFSA-N 2 0 384.593 4.175 20 0 GIADRP CC[N@H+](CCCC1CC[NH+](Cc2ccncc2F)CC1)Cc1ccncc1F ZINC000459366814 823174024 /nfs/dbraw/zinc/17/40/24/823174024.db2.gz DHRDVONPYXHCTE-UHFFFAOYSA-N 2 0 388.506 4.269 20 0 GIADRP Clc1cccc([C@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)N2CCCC2)c1 ZINC000459372212 823175139 /nfs/dbraw/zinc/17/51/39/823175139.db2.gz UHOIFPCORZTCLM-QFIPXVFZSA-N 2 0 384.955 4.131 20 0 GIADRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ccccc2N2CCO[C@H](C)C2)cc1 ZINC000459382225 823178484 /nfs/dbraw/zinc/17/84/84/823178484.db2.gz SNAIXVQULDDYGY-HXUWFJFHSA-N 2 0 381.564 4.043 20 0 GIADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cccc(OCc2ccccn2)c1 ZINC000459385454 823179636 /nfs/dbraw/zinc/17/96/36/823179636.db2.gz HSJVHBQUZMUTQI-IBGZPJMESA-N 2 0 388.515 4.375 20 0 GIADRP c1nc2ccccc2n1Cc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000459387947 823180336 /nfs/dbraw/zinc/18/03/36/823180336.db2.gz KCWJKYBNHOMHAK-UHFFFAOYSA-N 2 0 397.526 4.238 20 0 GIADRP Cc1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c(OCC(F)(F)F)c1 ZINC000459435194 823191523 /nfs/dbraw/zinc/19/15/23/823191523.db2.gz OTXNMJBFUNLOFR-UHFFFAOYSA-N 2 0 379.426 4.090 20 0 GIADRP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459448493 823194290 /nfs/dbraw/zinc/19/42/90/823194290.db2.gz RPCNGLVQYGPLQR-UHFFFAOYSA-N 2 0 375.520 4.149 20 0 GIADRP OC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1C(F)(F)F ZINC000459524404 823211095 /nfs/dbraw/zinc/21/10/95/823211095.db2.gz KEXRZPUGGIYSNM-GOSISDBHSA-N 2 0 399.844 4.046 20 0 GIADRP CC(C)OC1CC([NH+]2CCCC3(CCC[N@@H+](C4CC(OC(C)C)C4)C3)C2)C1 ZINC000459542232 823215868 /nfs/dbraw/zinc/21/58/68/823215868.db2.gz XMAZSLBNLJDKNZ-UHFFFAOYSA-N 2 0 378.601 4.076 20 0 GIADRP C[C@H]([NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)c1cn(-c2ccccc2)nn1 ZINC000571868088 823247772 /nfs/dbraw/zinc/24/77/72/823247772.db2.gz SONWXWUGKGFGSA-KPQWGBOZSA-N 2 0 389.547 4.361 20 0 GIADRP COc1ccc([C@H](CO)C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)cc1 ZINC000459741000 823259136 /nfs/dbraw/zinc/25/91/36/823259136.db2.gz JVZFZYFNEYADIO-IBGZPJMESA-N 2 0 376.585 4.040 20 0 GIADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@]3(O)CCC[C@H](C(F)(F)F)C3)CC2)C1 ZINC000188631786 823276687 /nfs/dbraw/zinc/27/66/87/823276687.db2.gz LKCAKQVQQADEGY-NEPXVJNWSA-N 2 0 376.507 4.103 20 0 GIADRP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000057847066 823341045 /nfs/dbraw/zinc/34/10/45/823341045.db2.gz RSLZWJDSJPMSTB-UHFFFAOYSA-N 2 0 379.548 4.346 20 0 GIADRP Cc1ccc2cc(C[NH2+]Cc3ccc(C[NH+]4C[C@H](C)O[C@@H](C)C4)cc3)ccc2n1 ZINC000189242712 823380627 /nfs/dbraw/zinc/38/06/27/823380627.db2.gz VSIROSOXYYDRHM-PMACEKPBSA-N 2 0 389.543 4.442 20 0 GIADRP Cc1ccc2cc(C[NH2+]Cc3ccccc3C[NH+]3C[C@@H](C)O[C@H](C)C3)ccc2n1 ZINC000189271066 823384367 /nfs/dbraw/zinc/38/43/67/823384367.db2.gz XCZJDUWCILYMBM-WOJBJXKFSA-N 2 0 389.543 4.442 20 0 GIADRP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000573170685 823459429 /nfs/dbraw/zinc/45/94/29/823459429.db2.gz HRKTWNCUHKIDPL-UNMCSNQZSA-N 2 0 389.547 4.220 20 0 GIADRP C[NH+](C)Cc1cccc(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)c1 ZINC000027219649 820211337 /nfs/dbraw/zinc/21/13/37/820211337.db2.gz XAYUJVQVYSLRLW-UHFFFAOYSA-N 2 0 397.526 4.286 20 0 GIADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000027606558 820266889 /nfs/dbraw/zinc/26/68/89/820266889.db2.gz AJTOGJWUUBOFGX-OAQYLSRUSA-N 2 0 397.588 4.301 20 0 GIADRP CC(C)CC[NH+]1CCC(C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000180727603 821420385 /nfs/dbraw/zinc/42/03/85/821420385.db2.gz SNWLPDVMVWBCGK-UHFFFAOYSA-N 2 0 381.605 4.170 20 0 GIADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(Cl)c(Cl)c1 ZINC000180999447 821585094 /nfs/dbraw/zinc/58/50/94/821585094.db2.gz QXMURCDFRXZRPM-CQSZACIVSA-N 2 0 394.346 4.136 20 0 GIADRP CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000181016931 821595267 /nfs/dbraw/zinc/59/52/67/821595267.db2.gz FLLIMIUQPDONTB-RPWUZVMVSA-N 2 0 378.560 4.315 20 0 GIADRP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cccc(Br)c1 ZINC000181418247 821815921 /nfs/dbraw/zinc/81/59/21/821815921.db2.gz WWCBIHFHBOOLNW-UFYCRDLUSA-N 2 0 395.385 4.258 20 0 GIADRP CCc1c2ccccc2oc1[C@@H](C)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000181669979 821935403 /nfs/dbraw/zinc/93/54/03/821935403.db2.gz JDGXIZGOEHEIBT-QGZVFWFLSA-N 2 0 393.531 4.137 20 0 GIADRP COc1cccc2cc([C@@H](C)[NH2+]CC3(N4CCCCC4)CC[NH+](C)CC3)oc21 ZINC000181827662 822009213 /nfs/dbraw/zinc/00/92/13/822009213.db2.gz QKRKWSWYEBFHFN-GOSISDBHSA-N 2 0 385.552 4.042 20 0 GIADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cc2cc(Cl)ccc2o1 ZINC000181975904 822050353 /nfs/dbraw/zinc/05/03/53/822050353.db2.gz NTDCXBCOPQKMKE-OAHLLOKOSA-N 2 0 399.922 4.228 20 0 GIADRP CCOc1cccc2cc([C@H](C)[NH2+]Cc3ccnc(OCC[NH+](C)C)c3)oc21 ZINC000182090858 822089925 /nfs/dbraw/zinc/08/99/25/822089925.db2.gz DNBGYEINZKSENN-INIZCTEOSA-N 2 0 383.492 4.018 20 0 GIADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(OC(F)F)cc1 ZINC000182241133 822162634 /nfs/dbraw/zinc/16/26/34/822162634.db2.gz GVRYPUUESIDFHM-OXJNMPFZSA-N 2 0 390.474 4.096 20 0 GIADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H](c2ccccc2F)C2CCCC2)C1 ZINC000182261609 822175289 /nfs/dbraw/zinc/17/52/89/822175289.db2.gz QAERRZZPCWGCDD-URXFXBBRSA-N 2 0 382.523 4.413 20 0 GIADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)cc1 ZINC000177979612 822268124 /nfs/dbraw/zinc/26/81/24/822268124.db2.gz PDBJRURXCQOJLG-SFHVURJKSA-N 2 0 383.536 4.042 20 0 GIADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)c1ccoc1 ZINC000177985027 822269722 /nfs/dbraw/zinc/26/97/22/822269722.db2.gz WNNLVHGWXLFGEU-FQEVSTJZSA-N 2 0 375.516 4.453 20 0 GIADRP COc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2OC)cc1C[NH+]1CCCCC1 ZINC000182537962 822289390 /nfs/dbraw/zinc/28/93/90/822289390.db2.gz XOUKEQKAWROMNB-XMSQKQJNSA-N 2 0 398.547 4.074 20 0 GIADRP Cc1ccsc1[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(Cl)cc1F ZINC000182639389 822334569 /nfs/dbraw/zinc/33/45/69/822334569.db2.gz ZNQSPEZCGZSDHG-IBGZPJMESA-N 2 0 396.959 4.232 20 0 GIADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000178634630 822398035 /nfs/dbraw/zinc/39/80/35/822398035.db2.gz HEIDGFRCTCCSNE-LJQANCHMSA-N 2 0 393.531 4.206 20 0 GIADRP Cc1nc(C)c([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)s1 ZINC000178758700 822407597 /nfs/dbraw/zinc/40/75/97/822407597.db2.gz ZWJUVXRLVCATPF-KGLIPLIRSA-N 2 0 376.545 4.063 20 0 GIADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)c2ccc(Cl)nc2)CC1 ZINC000179121754 822440626 /nfs/dbraw/zinc/44/06/26/822440626.db2.gz WEQGBJUAIYSVAS-CVEARBPZSA-N 2 0 390.934 4.428 20 0 GIADRP C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccc(Cl)nc1 ZINC000179121674 822440651 /nfs/dbraw/zinc/44/06/51/822440651.db2.gz XVNVTEXFQYXSRM-GJZGRUSLSA-N 2 0 376.907 4.038 20 0 GIADRP C[C@H](CC[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCCCC1 ZINC000183226164 822444271 /nfs/dbraw/zinc/44/42/71/822444271.db2.gz AWJHQQHTNCSFEO-JKSUJKDBSA-N 2 0 385.474 4.277 20 0 GIADRP COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)cc1C[NH+]1CCCCC1 ZINC000183387910 822467288 /nfs/dbraw/zinc/46/72/88/822467288.db2.gz YMOKPRQKXAWJJE-DENIHFKCSA-N 2 0 394.563 4.006 20 0 GIADRP CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000183390717 822467458 /nfs/dbraw/zinc/46/74/58/822467458.db2.gz ZAQTZPAPUFGTIV-SFHVURJKSA-N 2 0 398.595 4.390 20 0 GIADRP Cc1cc(C)c(NC(=O)C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000179391888 822476032 /nfs/dbraw/zinc/47/60/32/822476032.db2.gz LTXBSLGWVSOUST-UHFFFAOYSA-N 2 0 394.563 4.184 20 0 GIADRP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cc(C)ccc1OC ZINC000179424977 822480572 /nfs/dbraw/zinc/48/05/72/822480572.db2.gz OMFIUEHSVNCONL-QHCPKHFHSA-N 2 0 382.548 4.201 20 0 GIADRP COc1cc([C@@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)ccc1OC(F)F ZINC000179468788 822487261 /nfs/dbraw/zinc/48/72/61/822487261.db2.gz NEBVMFUSIOWHSI-OAHLLOKOSA-N 2 0 391.462 4.259 20 0 GIADRP Cc1c([C@@H](C)[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cnn1-c1ccc(F)cc1 ZINC000179469756 822487296 /nfs/dbraw/zinc/48/72/96/822487296.db2.gz UGDIDAQWADFBLL-QGZVFWFLSA-N 2 0 393.510 4.282 20 0 GIADRP COc1ccc([C@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c2ccccc12 ZINC000179509975 822493371 /nfs/dbraw/zinc/49/33/71/822493371.db2.gz UDBLPPKRNQPACF-KRWDZBQOSA-N 2 0 379.504 4.035 20 0 GIADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000183953154 822552888 /nfs/dbraw/zinc/55/28/88/822552888.db2.gz QSXIYYDVBFXQDP-HNNXBMFYSA-N 2 0 385.474 4.134 20 0 GIADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000183953175 822552972 /nfs/dbraw/zinc/55/29/72/822552972.db2.gz QSXIYYDVBFXQDP-OAHLLOKOSA-N 2 0 385.474 4.134 20 0 GIADRP CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000183993686 822560026 /nfs/dbraw/zinc/56/00/26/822560026.db2.gz LPYGSXUWDYQWKW-PCCBWWKXSA-N 2 0 391.600 4.019 20 0 GIADRP C[N@H+](Cc1ccccc1NC(=O)N1CC[NH+](CC2CC2)CC1)C1CCCCC1 ZINC000047351534 822569917 /nfs/dbraw/zinc/56/99/17/822569917.db2.gz IUZDXSNUMMJBKQ-UHFFFAOYSA-N 2 0 384.568 4.011 20 0 GIADRP CC[NH+]1CCN(CCC[NH2+][C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC000180108701 822616731 /nfs/dbraw/zinc/61/67/31/822616731.db2.gz DNNAYODLOQPWQJ-JOCHJYFZSA-N 2 0 389.946 4.186 20 0 GIADRP CC[NH+]1CCN(CCCC[NH2+]C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000180110260 822617458 /nfs/dbraw/zinc/61/74/58/822617458.db2.gz RIBAALZOLMKQRE-UHFFFAOYSA-N 2 0 387.518 4.062 20 0 GIADRP COCCC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccc(Br)cc1 ZINC000180402853 822676207 /nfs/dbraw/zinc/67/62/07/822676207.db2.gz HUXPEHLITPEVQM-LJQANCHMSA-N 2 0 383.374 4.379 20 0 GIADRP CC[N@H+](C)Cc1cccc(CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000184688976 822676910 /nfs/dbraw/zinc/67/69/10/822676910.db2.gz JRFZOAJXWJTYRU-UHFFFAOYSA-N 2 0 393.575 4.057 20 0 GIADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)ccc21 ZINC000455880840 822741658 /nfs/dbraw/zinc/74/16/58/822741658.db2.gz SHMPEVQMOXWSFP-GOTSBHOMSA-N 2 0 392.547 4.194 20 0 GIADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)ccc21 ZINC000455880837 822741671 /nfs/dbraw/zinc/74/16/71/822741671.db2.gz SHMPEVQMOXWSFP-DHIUTWEWSA-N 2 0 392.547 4.194 20 0 GIADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000455891570 822743354 /nfs/dbraw/zinc/74/33/54/822743354.db2.gz BUZPQGDGLCSLRX-MSYCTHLASA-N 2 0 398.595 4.354 20 0 GIADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000455891573 822743381 /nfs/dbraw/zinc/74/33/81/822743381.db2.gz BUZPQGDGLCSLRX-SELNLUPBSA-N 2 0 398.595 4.354 20 0 GIADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455894356 822743862 /nfs/dbraw/zinc/74/38/62/822743862.db2.gz CTMHKXKLWPMFFD-QHCPKHFHSA-N 2 0 394.563 4.351 20 0 GIADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CCC[C@@H](C[NH+]4CCCCCC4)C3)ccc21 ZINC000455919646 822749442 /nfs/dbraw/zinc/74/94/42/822749442.db2.gz LJOIVLIFCJPEIQ-WMZHIEFXSA-N 2 0 398.595 4.355 20 0 GIADRP CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c1 ZINC000455922500 822750039 /nfs/dbraw/zinc/75/00/39/822750039.db2.gz MCLVEHQVQCUNLJ-JOCHJYFZSA-N 2 0 380.536 4.009 20 0 GIADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC3CC[NH+](C4CCCCC4)CC3)ccc21 ZINC000455926829 822750838 /nfs/dbraw/zinc/75/08/38/822750838.db2.gz NMGRVOOGSDOASV-QFIPXVFZSA-N 2 0 384.568 4.154 20 0 GIADRP CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000455931824 822751944 /nfs/dbraw/zinc/75/19/44/822751944.db2.gz PUYXXOUAZJSSEF-QFIPXVFZSA-N 2 0 386.584 4.211 20 0 GIADRP CC[NH+](CC)[C@H](CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1ccco1 ZINC000455937377 822753305 /nfs/dbraw/zinc/75/33/05/822753305.db2.gz SIHJFEGFINVWJR-VQTJNVASSA-N 2 0 384.524 4.033 20 0 GIADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC000456284267 822794160 /nfs/dbraw/zinc/79/41/60/822794160.db2.gz TZVQSMUSYQIMKI-QHCPKHFHSA-N 2 0 377.532 4.086 20 0 GIADRP CC[NH+]1CCC(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000174550960 822803993 /nfs/dbraw/zinc/80/39/93/822803993.db2.gz HWJYTAPRQDAUMG-UHFFFAOYSA-N 2 0 389.547 4.146 20 0 GIADRP C[C@H]([NH2+]CCOc1ccccc1Br)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185768810 822819597 /nfs/dbraw/zinc/81/95/97/822819597.db2.gz QIMHUDGQHOKTOY-HOTGVXAUSA-N 2 0 381.358 4.071 20 0 GIADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cc(Br)ccc1O ZINC000185869558 822828735 /nfs/dbraw/zinc/82/87/35/822828735.db2.gz FAFSBEDQSSCQEU-CQSZACIVSA-N 2 0 390.325 4.117 20 0 GIADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000457062617 822849192 /nfs/dbraw/zinc/84/91/92/822849192.db2.gz DDMVAFWWULKNTK-UHFFFAOYSA-N 2 0 399.501 4.017 20 0 GIADRP CC[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccc2cc(OC)ccc2c1 ZINC000569499916 822930458 /nfs/dbraw/zinc/93/04/58/822930458.db2.gz OPMJWPHAQQIGOJ-QHCPKHFHSA-N 2 0 393.531 4.425 20 0 GIADRP COc1cccc(C2(C[NH2+]Cc3ccccc3N(C)C3CC[NH+](C)CC3)CC2)c1 ZINC000569514351 822932846 /nfs/dbraw/zinc/93/28/46/822932846.db2.gz YTQAGVUMGRKHEP-UHFFFAOYSA-N 2 0 393.575 4.047 20 0 GIADRP COc1ccc2c(c1F)CC[C@@H]2[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000569916150 822985531 /nfs/dbraw/zinc/98/55/31/822985531.db2.gz UFOSIBIFWIRWEO-NRFANRHFSA-N 2 0 384.495 4.086 20 0 GIADRP CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411217542 823557893 /nfs/dbraw/zinc/55/78/93/823557893.db2.gz ACRVCZLEXDWVGV-UHFFFAOYSA-N 2 0 393.575 4.396 20 0 GIADRP Clc1cccc(-c2ccc(C[NH2+]CCCC[NH+]3CCOCC3)o2)c1Cl ZINC000060979294 823570858 /nfs/dbraw/zinc/57/08/58/823570858.db2.gz ZGMKNJOXAXTWLX-UHFFFAOYSA-N 2 0 383.319 4.455 20 0 GIADRP COc1cc(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)cc2c1OCO2 ZINC000061070919 823576933 /nfs/dbraw/zinc/57/69/33/823576933.db2.gz WSEFEDSLQZXZEY-ROUUACIJSA-N 2 0 396.531 4.192 20 0 GIADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000461107079 823578782 /nfs/dbraw/zinc/57/87/82/823578782.db2.gz IQTTVMMYPKNZPR-UAAMJZOTSA-N 2 0 386.580 4.245 20 0 GIADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2ccccc2-c2ccc(Cl)cc2)CC1 ZINC000411473904 823578935 /nfs/dbraw/zinc/57/89/35/823578935.db2.gz WUAAWXRKHWKSDY-KRWDZBQOSA-N 2 0 399.966 4.258 20 0 GIADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2ccc(Cl)c3ccccc32)CC1 ZINC000411549757 823587506 /nfs/dbraw/zinc/58/75/06/823587506.db2.gz HSOYWSWLYPBEPQ-INIZCTEOSA-N 2 0 387.955 4.133 20 0 GIADRP CC(CC[NH2+][C@@H]1CCCC12CCOCC2)CC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000411696042 823597672 /nfs/dbraw/zinc/59/76/72/823597672.db2.gz UEUDHVKWOFWERR-FGZHOGPDSA-N 2 0 392.628 4.281 20 0 GIADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cccc(C[NH+]4CCCCC4)c3)C2)CC1 ZINC000411783519 823604354 /nfs/dbraw/zinc/60/43/54/823604354.db2.gz IZTSYYXGDQDRRC-QHCPKHFHSA-N 2 0 397.607 4.257 20 0 GIADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc1)CC2 ZINC000124598387 823609952 /nfs/dbraw/zinc/60/99/52/823609952.db2.gz LPOGVIBEROBEGJ-LLJLJFOGSA-N 2 0 380.532 4.082 20 0 GIADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCCOc4ccccc43)cc2)C[C@H](C)O1 ZINC000124626175 823612267 /nfs/dbraw/zinc/61/22/67/823612267.db2.gz ZZTYTLQGQPIHKJ-SELNLUPBSA-N 2 0 380.532 4.299 20 0 GIADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2c(OC(F)F)ccc3ccccc32)C[C@H](C)O1 ZINC000062253177 823626737 /nfs/dbraw/zinc/62/67/37/823626737.db2.gz REMDWUOLKNAILW-IRXDYDNUSA-N 2 0 392.490 4.420 20 0 GIADRP O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000461473642 823644079 /nfs/dbraw/zinc/64/40/79/823644079.db2.gz VDTRNRIEMBMKTE-GOTSBHOMSA-N 2 0 397.607 4.060 20 0 GIADRP O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000461473644 823644102 /nfs/dbraw/zinc/64/41/02/823644102.db2.gz VDTRNRIEMBMKTE-XZOQPEGZSA-N 2 0 397.607 4.060 20 0 GIADRP CC[NH+](CC)Cc1ccc(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000063080186 823650348 /nfs/dbraw/zinc/65/03/48/823650348.db2.gz FYPIMRFXWKWTNA-UHFFFAOYSA-N 2 0 393.575 4.170 20 0 GIADRP Cc1c([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cnn1C(C)C ZINC000191268660 823665636 /nfs/dbraw/zinc/66/56/36/823665636.db2.gz KKLKIMUHFDFHER-SJORKVTESA-N 2 0 387.547 4.075 20 0 GIADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000125514947 823682065 /nfs/dbraw/zinc/68/20/65/823682065.db2.gz JPSYFJWPBMBMHP-GOSISDBHSA-N 2 0 397.588 4.438 20 0 GIADRP Cc1c([C@H](C)[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)cnn1C(C)C ZINC000191411561 823682141 /nfs/dbraw/zinc/68/21/41/823682141.db2.gz HKXBOQUMPYGBJB-IBGZPJMESA-N 2 0 384.568 4.140 20 0 GIADRP CC[NH+]1CCC([NH2+]Cc2ccc(NC(=O)CCCOc3ccccc3)cc2)CC1 ZINC000461791379 823695884 /nfs/dbraw/zinc/69/58/84/823695884.db2.gz NTZWATKQOHRNKX-UHFFFAOYSA-N 2 0 395.547 4.058 20 0 GIADRP COc1ccc([C@H](C)[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)cc1 ZINC000163970691 823767181 /nfs/dbraw/zinc/76/71/81/823767181.db2.gz QNASUROEAHPCDM-IBGZPJMESA-N 2 0 398.547 4.036 20 0 GIADRP CCc1ccc([C@H](C)[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)o1 ZINC000163976821 823767829 /nfs/dbraw/zinc/76/78/29/823767829.db2.gz FYKIISWDHYCUIE-SFHVURJKSA-N 2 0 386.536 4.182 20 0 GIADRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000461984990 823782915 /nfs/dbraw/zinc/78/29/15/823782915.db2.gz FNFMJUFFNDPTIB-XMMPIXPASA-N 2 0 391.559 4.318 20 0 GIADRP CCC[NH+]1CCC([NH2+][C@@H](Cc2ccc(OC)c(OC)c2)c2ccccc2)CC1 ZINC000462037546 823806667 /nfs/dbraw/zinc/80/66/67/823806667.db2.gz IFVVNFWNSUAIDR-QFIPXVFZSA-N 2 0 382.548 4.452 20 0 GIADRP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)CCCO2 ZINC000165163188 823837120 /nfs/dbraw/zinc/83/71/20/823837120.db2.gz UBGLTAXIXAAEHC-QFIPXVFZSA-N 2 0 384.520 4.029 20 0 GIADRP C[C@@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000165350529 823845078 /nfs/dbraw/zinc/84/50/78/823845078.db2.gz DTABFFUPOCBUMH-LJQANCHMSA-N 2 0 399.554 4.081 20 0 GIADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414059447 823897921 /nfs/dbraw/zinc/89/79/21/823897921.db2.gz IPRVNMHVOAKTAF-IRLDBZIGSA-N 2 0 378.004 4.374 20 0 GIADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000414172233 823922860 /nfs/dbraw/zinc/92/28/60/823922860.db2.gz DNHOFFKPFXAEKV-UZLBHIALSA-N 2 0 395.385 4.238 20 0 GIADRP CC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000126679504 823925817 /nfs/dbraw/zinc/92/58/17/823925817.db2.gz NSLGLTNKWDQKRB-VGOFRKELSA-N 2 0 385.527 4.388 20 0 GIADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)c2ccsc2S1 ZINC000126682552 823926383 /nfs/dbraw/zinc/92/63/83/823926383.db2.gz VHKKCJNQNCDQMV-OXJNMPFZSA-N 2 0 387.618 4.211 20 0 GIADRP COc1ccc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc1F ZINC000126691780 823928765 /nfs/dbraw/zinc/92/87/65/823928765.db2.gz FRYKGFCLRLSWKH-JKSUJKDBSA-N 2 0 389.490 4.137 20 0 GIADRP COc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc1F ZINC000126692051 823928947 /nfs/dbraw/zinc/92/89/47/823928947.db2.gz FRYKGFCLRLSWKH-HZPDHXFCSA-N 2 0 389.490 4.137 20 0 GIADRP CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000126698789 823930046 /nfs/dbraw/zinc/93/00/46/823930046.db2.gz REGKDEKBLGABJT-VGSWGCGISA-N 2 0 385.527 4.388 20 0 GIADRP COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000126701070 823930504 /nfs/dbraw/zinc/93/05/04/823930504.db2.gz FGUBPYNDKIHIDO-ZWKOTPCHSA-N 2 0 385.527 4.306 20 0 GIADRP CC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000126699065 823930593 /nfs/dbraw/zinc/93/05/93/823930593.db2.gz REGKDEKBLGABJT-VGOFRKELSA-N 2 0 385.527 4.388 20 0 GIADRP CCOc1cccc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c1 ZINC000126708012 823932474 /nfs/dbraw/zinc/93/24/74/823932474.db2.gz XJXOZWQNZLYTDX-ROUUACIJSA-N 2 0 385.527 4.388 20 0 GIADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](c1ccccc1)C1(CO)CCCCC1 ZINC000414518128 823999846 /nfs/dbraw/zinc/99/98/46/823999846.db2.gz AWBOTIIFANQKSG-QHCPKHFHSA-N 2 0 390.531 4.349 20 0 GIADRP CCOc1cc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc(Br)c1OC ZINC000414804468 824037671 /nfs/dbraw/zinc/03/76/71/824037671.db2.gz FDBLKXJCDXJVMW-ZDUSSCGKSA-N 2 0 393.325 4.166 20 0 GIADRP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414841372 824040922 /nfs/dbraw/zinc/04/09/22/824040922.db2.gz NTGDGELMGFBHHK-STQMWFEESA-N 2 0 391.865 4.055 20 0 GIADRP CCCOc1c(Br)cc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1OCC ZINC000414855821 824042600 /nfs/dbraw/zinc/04/26/00/824042600.db2.gz NSYJWQZMSLPBDP-HOCLYGCPSA-N 2 0 399.373 4.114 20 0 GIADRP CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)nc1 ZINC001164386904 718815882 /nfs/dbraw/zinc/81/58/82/718815882.db2.gz BVVVPTZPJNBEPS-HKUYNNGSSA-N 2 0 396.501 4.139 20 0 GIADRP Cc1nc(C[N@@H+]2CCCC23CCN(c2[nH+]c(C)cc4[nH]ccc42)CC3)cs1 ZINC001164692958 719809590 /nfs/dbraw/zinc/80/95/90/719809590.db2.gz OLOMNENCJSRIIK-UHFFFAOYSA-N 2 0 381.549 4.271 20 0 GIADRP Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2cc(N4CCCC4)cc[nH+]2)C3)c1 ZINC001164995625 722204280 /nfs/dbraw/zinc/20/42/80/722204280.db2.gz OSASCPOJGZLUHW-QHCPKHFHSA-N 2 0 380.511 4.066 20 0 GIADRP C[C@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000120796750 823065823 /nfs/dbraw/zinc/06/58/23/823065823.db2.gz HYUCLYSAYKQMEL-RDPSFJRHSA-N 2 0 381.564 4.115 20 0 GIADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3=CCN(C(=O)OC(C)(C)C)CC3)CC2)C1 ZINC000187749557 823124923 /nfs/dbraw/zinc/12/49/23/823124923.db2.gz KYTVCJWEHLCVDU-NQIIRXRSSA-N 2 0 391.600 4.186 20 0 GIADRP CCC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccsc1 ZINC000187786377 823132816 /nfs/dbraw/zinc/13/28/16/823132816.db2.gz HDJUSAUCOGWJCQ-NRFANRHFSA-N 2 0 385.577 4.205 20 0 GIADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)CCCS2 ZINC000187789495 823133421 /nfs/dbraw/zinc/13/34/21/823133421.db2.gz NRPMMQLDCVDSAX-OAQYLSRUSA-N 2 0 386.561 4.352 20 0 GIADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(-c3ccccc3OC)cc2)CC1 ZINC000121185113 823134305 /nfs/dbraw/zinc/13/43/05/823134305.db2.gz RNSVPIWRBOYHBJ-LEWJYISDSA-N 2 0 395.591 4.286 20 0 GIADRP Cc1nc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)oc1-c1ccc(Cl)cc1 ZINC000571288309 823160370 /nfs/dbraw/zinc/16/03/70/823160370.db2.gz XIQURKTYSIBIHN-MOPGFXCFSA-N 2 0 389.927 4.022 20 0 GIADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459365329 823173395 /nfs/dbraw/zinc/17/33/95/823173395.db2.gz ASKDEHURMPAUAX-FQEVSTJZSA-N 3 0 378.564 4.215 20 0 GIADRP CCN1CC[NH+](CCCC[NH2+]Cc2cc(-c3ccccc3C)ccc2OC)CC1 ZINC000459378952 823177505 /nfs/dbraw/zinc/17/75/05/823177505.db2.gz RYMZDLHSAYZMDF-UHFFFAOYSA-N 2 0 395.591 4.178 20 0 GIADRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000459386008 823179531 /nfs/dbraw/zinc/17/95/31/823179531.db2.gz XPXSYIKZPYUBHV-FQEVSTJZSA-N 2 0 381.564 4.043 20 0 GIADRP C[C@@H]1CN(c2ccccc2C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC000459386817 823179995 /nfs/dbraw/zinc/17/99/95/823179995.db2.gz YSSLAYDDGVRZNV-OAQYLSRUSA-N 2 0 393.575 4.187 20 0 GIADRP COc1cc([C@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)ccc1OCC(C)C ZINC000459396339 823182656 /nfs/dbraw/zinc/18/26/56/823182656.db2.gz WIJIHUOJHFLHCI-SFHVURJKSA-N 2 0 383.536 4.445 20 0 GIADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000459402729 823185082 /nfs/dbraw/zinc/18/50/82/823185082.db2.gz ZWWPNQTXJIKXJP-OAHLLOKOSA-N 2 0 379.426 4.342 20 0 GIADRP CC(C)[NH+]1CCC(O)(C[NH2+]C/C=C/c2ccc(OCc3ccccc3)cc2)CC1 ZINC000459443530 823193093 /nfs/dbraw/zinc/19/30/93/823193093.db2.gz QFJVDWDWVMZRFK-RMKNXTFCSA-N 2 0 394.559 4.104 20 0 GIADRP C[C@@H](CCc1ccc(Br)cc1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459461651 823196890 /nfs/dbraw/zinc/19/68/90/823196890.db2.gz GJVGVENFXXLXBB-INIZCTEOSA-N 2 0 388.353 4.424 20 0 GIADRP C[C@@H]1C[N@H+](CCC[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)CCCO1 ZINC000571545045 823198559 /nfs/dbraw/zinc/19/85/59/823198559.db2.gz NURBCKLCEVIHIU-DNVCBOLYSA-N 2 0 386.458 4.127 20 0 GIADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000571721286 823224752 /nfs/dbraw/zinc/22/47/52/823224752.db2.gz GZRGFCRWMUVHMA-NOZRDPDXSA-N 2 0 399.623 4.057 20 0 GIADRP C[C@@H]([NH2+][C@H](C)c1ccccc1-n1cccn1)c1cccc(OCC[NH+](C)C)c1 ZINC000121835515 823259995 /nfs/dbraw/zinc/25/99/95/823259995.db2.gz QEFZJSRUVIQEGY-RTBURBONSA-N 2 0 378.520 4.225 20 0 GIADRP Fc1ccc(Cn2cc(C[NH2+]CC3CC[NH+](Cc4cccs4)CC3)cn2)cc1 ZINC000189101816 823358021 /nfs/dbraw/zinc/35/80/21/823358021.db2.gz QHVZRINALKIAOV-UHFFFAOYSA-N 2 0 398.551 4.134 20 0 GIADRP C[C@H](CNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)C[NH+]1CCCC1 ZINC000410012592 823371080 /nfs/dbraw/zinc/37/10/80/823371080.db2.gz CXEWWXNBZDFIFA-LJQANCHMSA-N 2 0 386.584 4.305 20 0 GIADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000123012520 823447955 /nfs/dbraw/zinc/44/79/55/823447955.db2.gz ULDMDSLRVZJPEI-QGZVFWFLSA-N 2 0 377.532 4.363 20 0 GIADRP CCSc1cc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)ccn1 ZINC000189583315 823451477 /nfs/dbraw/zinc/45/14/77/823451477.db2.gz WJRDOEFDOLFJME-UHFFFAOYSA-N 2 0 384.593 4.014 20 0 GIADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccccc1Cl ZINC000028899266 820369455 /nfs/dbraw/zinc/36/94/55/820369455.db2.gz VRMHXAXUUVSIGP-KRWDZBQOSA-N 2 0 385.939 4.443 20 0 GIADRP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000028899483 820369791 /nfs/dbraw/zinc/36/97/91/820369791.db2.gz ISCLXUHMAUPZQV-HXUWFJFHSA-N 2 0 379.548 4.406 20 0 GIADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccc(F)c(F)c1 ZINC000028899412 820370054 /nfs/dbraw/zinc/37/00/54/820370054.db2.gz DLGWPWQASACGRQ-INIZCTEOSA-N 2 0 387.474 4.068 20 0 GIADRP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000029179509 820407834 /nfs/dbraw/zinc/40/78/34/820407834.db2.gz UQLUREVGEPXPHH-DEOSSOPVSA-N 2 0 391.559 4.239 20 0 GIADRP O=C(Nc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1)c1ccc(Cl)cc1 ZINC000030907176 820706565 /nfs/dbraw/zinc/70/65/65/820706565.db2.gz MADBJECDMIGEKN-KRWDZBQOSA-N 2 0 383.923 4.166 20 0 GIADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000060275716 823514161 /nfs/dbraw/zinc/51/41/61/823514161.db2.gz GGHXVAFAARTYND-QFIPXVFZSA-N 2 0 385.596 4.113 20 0 GIADRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)c1 ZINC000123608673 823525394 /nfs/dbraw/zinc/52/53/94/823525394.db2.gz FECKQLOIXRHHLE-LJQANCHMSA-N 2 0 377.301 4.427 20 0 GIADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(Cl)cc1Cl ZINC000180645270 821380636 /nfs/dbraw/zinc/38/06/36/821380636.db2.gz WUZQDVFMENIZMI-KDOFPFPSSA-N 2 0 379.331 4.411 20 0 GIADRP Clc1ccc(-c2noc(CC[NH2+]C3CC[NH+](C4CCCCC4)CC3)n2)cc1 ZINC000180707713 821408386 /nfs/dbraw/zinc/40/83/86/821408386.db2.gz YVCUQTQAKNVCBU-UHFFFAOYSA-N 2 0 388.943 4.319 20 0 GIADRP COCCc1nc(C)c([C@H](C)[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000181391199 821802188 /nfs/dbraw/zinc/80/21/88/821802188.db2.gz QBNXOPJBRPBOKN-KRWDZBQOSA-N 2 0 387.593 4.203 20 0 GIADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000181518418 821864377 /nfs/dbraw/zinc/86/43/77/821864377.db2.gz NZNJFRFHTIYPDJ-DLBZAZTESA-N 2 0 399.501 4.380 20 0 GIADRP COc1cccc2cc([C@H](C)[NH2+]Cc3ccccc3C[NH+]3CCC(O)CC3)oc21 ZINC000181861234 822019074 /nfs/dbraw/zinc/01/90/74/822019074.db2.gz QDSFIOHBXREZEI-KRWDZBQOSA-N 2 0 394.515 4.249 20 0 GIADRP Cc1[nH+]c2ccccc2c(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c1C ZINC000181884582 822026209 /nfs/dbraw/zinc/02/62/09/822026209.db2.gz QGKJGUIYOWVVBZ-UHFFFAOYSA-N 2 0 375.516 4.420 20 0 GIADRP C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000182161190 822124466 /nfs/dbraw/zinc/12/44/66/822124466.db2.gz BGNXMCJZSJNWDG-UZQPLGKSSA-N 2 0 390.474 4.086 20 0 GIADRP Cc1ccc([C@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c2ccccc2)cc1 ZINC000182258310 822173226 /nfs/dbraw/zinc/17/32/26/822173226.db2.gz NUEUEVOYZNSDSB-IZZNHLLZSA-N 2 0 386.539 4.441 20 0 GIADRP CC(C)c1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)CCCO2 ZINC000182260197 822173833 /nfs/dbraw/zinc/17/38/33/822173833.db2.gz POFSHNVLVNEUGG-LADGPHEKSA-N 2 0 394.559 4.380 20 0 GIADRP COc1ccc([C@@H](C)[NH2+]Cc2ccc(NC(C)=O)cc2)cc1C[NH+]1CCCCC1 ZINC000182259545 822173863 /nfs/dbraw/zinc/17/38/63/822173863.db2.gz ZQHQDFKAOVPWKJ-GOSISDBHSA-N 2 0 395.547 4.490 20 0 GIADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000182268067 822179106 /nfs/dbraw/zinc/17/91/06/822179106.db2.gz PCVAZMRDQDMRGA-UWVAXJGDSA-N 2 0 395.572 4.145 20 0 GIADRP COc1ccc([C@@H](C)[NH2+]C2CCC3(CC2)OCCO3)cc1C[NH+]1CCCCC1 ZINC000182483932 822260974 /nfs/dbraw/zinc/26/09/74/822260974.db2.gz GRVAGWICNDAQMP-GOSISDBHSA-N 2 0 388.552 4.017 20 0 GIADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)c1 ZINC000177978077 822266864 /nfs/dbraw/zinc/26/68/64/822266864.db2.gz HEVGGELNRXQNDT-SFHVURJKSA-N 2 0 381.520 4.334 20 0 GIADRP COCCC[NH+]1CCC([NH2+][C@H]2CCCc3cc(SC(F)F)ccc32)CC1 ZINC000182770923 822365167 /nfs/dbraw/zinc/36/51/67/822365167.db2.gz RQLGSAMVFBLOPL-IBGZPJMESA-N 2 0 384.536 4.469 20 0 GIADRP CCCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cc1 ZINC000178307324 822365903 /nfs/dbraw/zinc/36/59/03/822365903.db2.gz RYXJZLUYPAMASG-LJQANCHMSA-N 2 0 382.548 4.283 20 0 GIADRP CC[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccc2c(c1)OCCO2 ZINC000178478966 822383202 /nfs/dbraw/zinc/38/32/02/822383202.db2.gz LNTZQYVIQAYHRF-LAUBAEHRSA-N 2 0 384.520 4.200 20 0 GIADRP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)cc1NC(C)=O ZINC000178635495 822398310 /nfs/dbraw/zinc/39/83/10/822398310.db2.gz KHTPTLDIHGZENX-GOSISDBHSA-N 2 0 395.547 4.216 20 0 GIADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(Br)cc1Br ZINC000045663987 822403565 /nfs/dbraw/zinc/40/35/65/822403565.db2.gz WXAAFAVMLHXDDM-NSHDSACASA-N 2 0 378.152 4.204 20 0 GIADRP C[C@@H]([NH2+]Cc1ccc(Br)s1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178713231 822405039 /nfs/dbraw/zinc/40/50/39/822405039.db2.gz GYPOLESGENOPBD-CYBMUJFWSA-N 2 0 383.355 4.302 20 0 GIADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)ccc1OC ZINC000183011085 822410899 /nfs/dbraw/zinc/41/08/99/822410899.db2.gz TVUIKSWMRYTVOZ-HRAATJIYSA-N 2 0 376.566 4.157 20 0 GIADRP COc1ccc([C@@H](C)[NH2+][C@H](C)Cc2c(C)nn(C)c2C)cc1C[NH+]1CCCCC1 ZINC000183029624 822414115 /nfs/dbraw/zinc/41/41/15/822414115.db2.gz ILMCVKWLZDUQDW-QZTJIDSGSA-N 2 0 398.595 4.313 20 0 GIADRP CC[NH+](CC)Cc1cc([C@@H](C)NC2CC[NH+](C(C)(C)C)CC2)ccc1OC ZINC000183179109 822436313 /nfs/dbraw/zinc/43/63/13/822436313.db2.gz DXDWIIRQENHUDD-GOSISDBHSA-N 2 0 375.601 4.451 20 0 GIADRP C[C@@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183197116 822439832 /nfs/dbraw/zinc/43/98/32/822439832.db2.gz DFJCVRUEMHKYSK-SMVLHYPJSA-N 2 0 379.589 4.065 20 0 GIADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC000454335849 822459417 /nfs/dbraw/zinc/45/94/17/822459417.db2.gz YJZVQBUVUYQKGK-HSZRJFAPSA-N 2 0 392.547 4.022 20 0 GIADRP Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000179391506 822476039 /nfs/dbraw/zinc/47/60/39/822476039.db2.gz DYIXPVHJUCWLCH-HXUWFJFHSA-N 2 0 394.563 4.264 20 0 GIADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1OC(F)F ZINC000179467599 822486986 /nfs/dbraw/zinc/48/69/86/822486986.db2.gz WCJJNVYBFOZGCI-CQSZACIVSA-N 2 0 379.426 4.389 20 0 GIADRP CCN1CC[NH+](CCCC[NH2+][C@H](c2cccc(C(F)(F)F)c2)C(C)C)CC1 ZINC000180015613 822597053 /nfs/dbraw/zinc/59/70/53/822597053.db2.gz WZIVFMGRFNODKV-FQEVSTJZSA-N 2 0 385.518 4.410 20 0 GIADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1nc2ccc(Cl)cc2n1C ZINC000180025036 822599310 /nfs/dbraw/zinc/59/93/10/822599310.db2.gz NMGQPADVASEGFH-OAHLLOKOSA-N 2 0 386.927 4.018 20 0 GIADRP Cc1nc(COc2ccc(C[NH2+]C(C)(C)CC[NH+]3CCCCCC3)cc2)no1 ZINC000185158725 822744150 /nfs/dbraw/zinc/74/41/50/822744150.db2.gz NRDKTNWUQSODRZ-UHFFFAOYSA-N 2 0 386.540 4.091 20 0 GIADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000455905322 822746097 /nfs/dbraw/zinc/74/60/97/822746097.db2.gz HFJDOSZIQNYJMA-KGVIQGDOSA-N 2 0 386.584 4.115 20 0 GIADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)c1 ZINC000455930026 822751605 /nfs/dbraw/zinc/75/16/05/822751605.db2.gz OXHZIWUWFIAUTM-HSZRJFAPSA-N 2 0 394.563 4.140 20 0 GIADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC3CC[NH+](CC4CCCC4)CC3)ccc21 ZINC000455947048 822755865 /nfs/dbraw/zinc/75/58/65/822755865.db2.gz XGFATOWECBRZOB-JOCHJYFZSA-N 2 0 384.568 4.012 20 0 GIADRP C[NH+](C)Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)cc1 ZINC000174403037 822785134 /nfs/dbraw/zinc/78/51/34/822785134.db2.gz AHRCNQRFKDFEOG-NRFANRHFSA-N 2 0 388.939 4.249 20 0 GIADRP C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000456791160 822831410 /nfs/dbraw/zinc/83/14/10/822831410.db2.gz MVYJQKNYUJFTHX-INIZCTEOSA-N 2 0 393.959 4.016 20 0 GIADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)c2sccc2OC)CC1 ZINC000186154507 822856381 /nfs/dbraw/zinc/85/63/81/822856381.db2.gz RNKKMNXJVSUIOL-JKSUJKDBSA-N 2 0 391.556 4.450 20 0 GIADRP Cc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc(C)c1OCc1ccccn1 ZINC000569003224 822868735 /nfs/dbraw/zinc/86/87/35/822868735.db2.gz KCAMPINJHMAIAF-FCHUYYIVSA-N 2 0 379.548 4.099 20 0 GIADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1cc(Br)ccc1O ZINC000186518021 822907602 /nfs/dbraw/zinc/90/76/02/822907602.db2.gz GHXNIPUIXJFTMR-SOUVJXGZSA-N 2 0 381.358 4.458 20 0 GIADRP COc1cccc2c1CCC[C@H]2[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000569324934 822907894 /nfs/dbraw/zinc/90/78/94/822907894.db2.gz BBEDEEZUTDLEQK-HSZRJFAPSA-N 2 0 380.532 4.335 20 0 GIADRP Brc1ccc(-c2ncc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)s2)cc1 ZINC000569362644 822911371 /nfs/dbraw/zinc/91/13/71/822911371.db2.gz LDZBBRXQEAITIO-GASCZTMLSA-N 2 0 392.366 4.004 20 0 GIADRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cncc(Br)c3)cc2)C1 ZINC000186589759 822918666 /nfs/dbraw/zinc/91/86/66/822918666.db2.gz CRMKRURLRCCOKA-MRXNPFEDSA-N 2 0 388.353 4.366 20 0 GIADRP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186591229 822919185 /nfs/dbraw/zinc/91/91/85/822919185.db2.gz HZUOWZGPZNMPMZ-MSOLQXFVSA-N 2 0 386.609 4.104 20 0 GIADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000186603381 822922078 /nfs/dbraw/zinc/92/20/78/822922078.db2.gz QBZLWHBDUZHPHV-HZPDHXFCSA-N 2 0 389.531 4.018 20 0 GIADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000175315686 822932802 /nfs/dbraw/zinc/93/28/02/822932802.db2.gz WARSWSWVBIWILW-UHFFFAOYSA-N 2 0 391.515 4.020 20 0 GIADRP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc4c(c3)CCC(=O)N4C)cc2)CC1 ZINC000187108384 823011477 /nfs/dbraw/zinc/01/14/77/823011477.db2.gz FPHRTFPRLCBZOA-UHFFFAOYSA-N 2 0 391.559 4.117 20 0 GIADRP Cc1c(Br)cccc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000570176568 823012496 /nfs/dbraw/zinc/01/24/96/823012496.db2.gz SVSIJISHEUEEPS-QUCCMNQESA-N 2 0 387.321 4.103 20 0 GIADRP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]Cc1ccccc1Cn1ccnc1)CCC2 ZINC000570192846 823013877 /nfs/dbraw/zinc/01/38/77/823013877.db2.gz NNIRBSYRDQZCKA-IBGZPJMESA-N 2 0 393.487 4.177 20 0 GIADRP C[C@@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000177936863 823548336 /nfs/dbraw/zinc/54/83/36/823548336.db2.gz JXVJXQRXYSPFCC-OSPHWJPCSA-N 2 0 396.531 4.200 20 0 GIADRP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000411429646 823573201 /nfs/dbraw/zinc/57/32/01/823573201.db2.gz RNPCTDDMFZFZQV-NRFANRHFSA-N 2 0 379.552 4.048 20 0 GIADRP O=C1CCCN1C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1 ZINC000411444636 823574852 /nfs/dbraw/zinc/57/48/52/823574852.db2.gz KYBBFDSMIVIJCR-XMMPIXPASA-N 2 0 391.559 4.126 20 0 GIADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCc1nc(-c2ccccc2)no1 ZINC000411535135 823585743 /nfs/dbraw/zinc/58/57/43/823585743.db2.gz QPIMNYYCPZDGFM-MOJGAOKDSA-N 2 0 390.531 4.025 20 0 GIADRP C[C@@H](CC[NH2+][C@@H]1CCCC12CCOCC2)CC[NH2+][C@H]1CCCC12CCOCC2 ZINC000411696051 823597658 /nfs/dbraw/zinc/59/76/58/823597658.db2.gz UEUDHVKWOFWERR-KOUNCHBCSA-N 2 0 392.628 4.281 20 0 GIADRP COc1cc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c2ccccc2n1 ZINC000124803555 823627433 /nfs/dbraw/zinc/62/74/33/823627433.db2.gz CCOULCIZFMTEDH-KRWDZBQOSA-N 2 0 379.504 4.035 20 0 GIADRP CCN(C)c1ccc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)cn1 ZINC000191187941 823657626 /nfs/dbraw/zinc/65/76/26/823657626.db2.gz YTYKPUSALNXXFV-UHFFFAOYSA-N 2 0 378.520 4.053 20 0 GIADRP Cc1c([C@@H](C)[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)cnn1C(C)C ZINC000191214564 823659759 /nfs/dbraw/zinc/65/97/59/823659759.db2.gz IXXLQDNFJKQDJA-HXUWFJFHSA-N 2 0 383.584 4.025 20 0 GIADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3c(F)cccc3Cl)CC2)cc1 ZINC000063319617 823662151 /nfs/dbraw/zinc/66/21/51/823662151.db2.gz DRYONTZQLVUTPX-UHFFFAOYSA-N 2 0 376.903 4.490 20 0 GIADRP COCCC[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000125347051 823669641 /nfs/dbraw/zinc/66/96/41/823669641.db2.gz HDMOZPQLNLKXRM-IBGZPJMESA-N 2 0 383.374 4.238 20 0 GIADRP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000125440963 823676337 /nfs/dbraw/zinc/67/63/37/823676337.db2.gz WRPSPRZZTLADOJ-LBPRGKRZSA-N 2 0 378.410 4.272 20 0 GIADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000191522280 823695005 /nfs/dbraw/zinc/69/50/05/823695005.db2.gz LEHBSXFJDIQVLV-VAMGGRTRSA-N 2 0 395.385 4.379 20 0 GIADRP FC(F)(F)c1ccc2c(c1)[nH+]ccc2N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000125693867 823697301 /nfs/dbraw/zinc/69/73/01/823697301.db2.gz QQHKYFFHBQMSIV-UHFFFAOYSA-N 2 0 393.453 4.335 20 0 GIADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000125747263 823703394 /nfs/dbraw/zinc/70/33/94/823703394.db2.gz QJUPPRMQDOBTLN-HOTGVXAUSA-N 2 0 385.474 4.133 20 0 GIADRP COc1cc([C@H](C)[NH2+]CC2CC[NH+](CCC(C)C)CC2)cc(OC)c1OC ZINC000163581458 823724901 /nfs/dbraw/zinc/72/49/01/823724901.db2.gz RZJKGGUHCGDIDB-KRWDZBQOSA-N 2 0 378.557 4.121 20 0 GIADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000125897616 823739541 /nfs/dbraw/zinc/73/95/41/823739541.db2.gz YZUSEWJKRRXFIO-ZACQAIPSSA-N 2 0 399.501 4.380 20 0 GIADRP Cc1ccc([C@H](C)[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)s1 ZINC000163933498 823762634 /nfs/dbraw/zinc/76/26/34/823762634.db2.gz ACKJHLFTKSKKQV-SFHVURJKSA-N 2 0 388.577 4.397 20 0 GIADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000574558762 823766302 /nfs/dbraw/zinc/76/63/02/823766302.db2.gz OQORENNRVALYRN-IBGZPJMESA-N 2 0 386.971 4.306 20 0 GIADRP Cc1cccc([C@H](C)[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c1 ZINC000163973828 823767382 /nfs/dbraw/zinc/76/73/82/823767382.db2.gz DPECGAFBZJLNOI-FQEVSTJZSA-N 2 0 382.548 4.335 20 0 GIADRP CC(C)[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc(F)c(F)c1 ZINC000574601802 823776825 /nfs/dbraw/zinc/77/68/25/823776825.db2.gz JSLXSJGXJXYYQK-OAQYLSRUSA-N 2 0 377.479 4.177 20 0 GIADRP C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000165167253 823837532 /nfs/dbraw/zinc/83/75/32/823837532.db2.gz PSLSQSQGMYHJCY-QGZVFWFLSA-N 2 0 395.547 4.098 20 0 GIADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H](C[C@@H]3CCOC3)c3ccccc3)C2)cc1 ZINC000166483778 823878620 /nfs/dbraw/zinc/87/86/20/823878620.db2.gz RGEUZQIRBYEJNF-ARNLJNQMSA-N 2 0 378.560 4.309 20 0 GIADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Nc2cccc3c2CC[NH2+]C3)cc1 ZINC000575023573 823891248 /nfs/dbraw/zinc/89/12/48/823891248.db2.gz QCVUTKTWMUIGKE-GOSISDBHSA-N 2 0 392.547 4.028 20 0 GIADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414076207 823903057 /nfs/dbraw/zinc/90/30/57/823903057.db2.gz YBKVNKFREURFER-RBBKRZOGSA-N 2 0 378.004 4.374 20 0 GIADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414087759 823906565 /nfs/dbraw/zinc/90/65/65/823906565.db2.gz IQMKFPNHNACWAH-AGOPTVSRSA-N 2 0 376.972 4.334 20 0 GIADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414091589 823906956 /nfs/dbraw/zinc/90/69/56/823906956.db2.gz LUHFZTDKCGCKGA-KDXIVRHGSA-N 2 0 376.972 4.334 20 0 GIADRP C[C@H]([NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1)c1cc2n(n1)CCC2 ZINC000414124075 823914479 /nfs/dbraw/zinc/91/44/79/823914479.db2.gz OXPVTBQYBWFVFM-FQEVSTJZSA-N 2 0 380.580 4.215 20 0 GIADRP Fc1ccc2oc(C[NH2+]CCCC[NH+]3CCN(c4ccccc4)CC3)cc2c1 ZINC000462368563 823944718 /nfs/dbraw/zinc/94/47/18/823944718.db2.gz NUWNGPVAXZUFGT-UHFFFAOYSA-N 2 0 381.495 4.264 20 0 GIADRP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000414292131 823952509 /nfs/dbraw/zinc/95/25/09/823952509.db2.gz AJFPMXGONHQJKN-QGZVFWFLSA-N 2 0 392.465 4.383 20 0 GIADRP c1csc(C[N@H+]2CCC[C@H](CNC3CC[NH+](CCc4ccccc4)CC3)C2)c1 ZINC000126803563 823955332 /nfs/dbraw/zinc/95/53/32/823955332.db2.gz IFBSVAUJZFZWLM-JOCHJYFZSA-N 2 0 397.632 4.257 20 0 GIADRP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)ccc1C(F)(F)F ZINC000414427519 823982967 /nfs/dbraw/zinc/98/29/67/823982967.db2.gz JQOZOOFUMQYGFR-HXUWFJFHSA-N 2 0 392.465 4.260 20 0 GIADRP CCCN(C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)C1CC[NH2+]CC1 ZINC000414719168 824026603 /nfs/dbraw/zinc/02/66/03/824026603.db2.gz XMYAVJVGILTJME-UHFFFAOYSA-N 2 0 386.584 4.447 20 0 GIADRP Clc1ccccc1Cn1cc(C[NH2+]C2CC[NH2+]CC2)c(-c2ccccc2)n1 ZINC000414786224 824036091 /nfs/dbraw/zinc/03/60/91/824036091.db2.gz JRKFYCUTSPRGCT-UHFFFAOYSA-N 2 0 380.923 4.093 20 0 GIADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000414806633 824037763 /nfs/dbraw/zinc/03/77/63/824037763.db2.gz HWWFDPFSXYPYLZ-UONOGXRCSA-N 2 0 379.426 4.232 20 0 GIADRP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414856116 824042734 /nfs/dbraw/zinc/04/27/34/824042734.db2.gz NXJAQGYFOABSJS-JHJVBQTASA-N 2 0 391.865 4.054 20 0 GIADRP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414916721 824050017 /nfs/dbraw/zinc/05/00/17/824050017.db2.gz QEJLSTYNMNYDSW-YVEFUNNKSA-N 2 0 391.865 4.055 20 0 GIADRP Clc1ccc(CCCC[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1Cl ZINC000192629907 824050298 /nfs/dbraw/zinc/05/02/98/824050298.db2.gz NQZJLQANAVGDBB-KRWDZBQOSA-N 2 0 385.379 4.407 20 0 GIADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000414966226 824055199 /nfs/dbraw/zinc/05/51/99/824055199.db2.gz OGTDZCWQJAZHJQ-JTHBVZDNSA-N 2 0 398.595 4.101 20 0 GIADRP C[C@@H]([NH2+]Cc1cccc(Br)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000120857657 823078242 /nfs/dbraw/zinc/07/82/42/823078242.db2.gz XWEAOSXYZYUNMU-OAHLLOKOSA-N 2 0 377.326 4.240 20 0 GIADRP CC[C@H](C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000570743952 823079814 /nfs/dbraw/zinc/07/98/14/823079814.db2.gz VCYMKDFRCDOYOS-HYBUGGRVSA-N 2 0 393.575 4.239 20 0 GIADRP Cc1ccccc1NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000056154999 823091175 /nfs/dbraw/zinc/09/11/75/823091175.db2.gz UQHUOKCXXILQHM-HXUWFJFHSA-N 2 0 379.548 4.344 20 0 GIADRP C[C@H](C[NH2+][C@H](C)c1ccc(SC2CCCC2)cc1)CN1CC[NH+](C)CC1 ZINC000121080453 823114898 /nfs/dbraw/zinc/11/48/98/823114898.db2.gz IAPTXXOYACFKJD-RTBURBONSA-N 2 0 375.626 4.255 20 0 GIADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000121090068 823116632 /nfs/dbraw/zinc/11/66/32/823116632.db2.gz QIHDPMFJFOFZPN-AWEZNQCLSA-N 2 0 385.474 4.275 20 0 GIADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3=CCN(C(=O)OC(C)(C)C)CC3)CC2)C1 ZINC000187749611 823124860 /nfs/dbraw/zinc/12/48/60/823124860.db2.gz KYTVCJWEHLCVDU-GHTZIAJQSA-N 2 0 391.600 4.186 20 0 GIADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)CCCS2 ZINC000187789229 823133475 /nfs/dbraw/zinc/13/34/75/823133475.db2.gz BSIFBEBWKPLFLY-OAQYLSRUSA-N 2 0 386.561 4.352 20 0 GIADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459365330 823173461 /nfs/dbraw/zinc/17/34/61/823173461.db2.gz ASKDEHURMPAUAX-HXUWFJFHSA-N 3 0 378.564 4.215 20 0 GIADRP C[NH+](C)Cc1ccc(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)cc1 ZINC000459383820 823179141 /nfs/dbraw/zinc/17/91/41/823179141.db2.gz VIYNCKLBIXONCS-UHFFFAOYSA-N 2 0 389.547 4.412 20 0 GIADRP C[C@H]1CN(c2ccccc2C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC000459386815 823179852 /nfs/dbraw/zinc/17/98/52/823179852.db2.gz YSSLAYDDGVRZNV-NRFANRHFSA-N 2 0 393.575 4.187 20 0 GIADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000459402727 823184804 /nfs/dbraw/zinc/18/48/04/823184804.db2.gz ZWWPNQTXJIKXJP-HNNXBMFYSA-N 2 0 379.426 4.342 20 0 GIADRP Fc1ccc(Oc2ccnc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)c2)cc1 ZINC000459423657 823189660 /nfs/dbraw/zinc/18/96/60/823189660.db2.gz HSMUFMSNCKUCLZ-UHFFFAOYSA-N 2 0 378.451 4.167 20 0 GIADRP Cn1c2ccccc2nc1[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000459466669 823198211 /nfs/dbraw/zinc/19/82/11/823198211.db2.gz OWTRSMIZIWMNGN-XMMPIXPASA-N 2 0 397.526 4.316 20 0 GIADRP Clc1ccc([C@@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)OCC2CC2)cc1 ZINC000459541279 823215997 /nfs/dbraw/zinc/21/59/97/823215997.db2.gz HTPCMXXKEVWRFX-JOCHJYFZSA-N 2 0 385.939 4.461 20 0 GIADRP COCc1cc(CN[C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1 ZINC000459548175 823217470 /nfs/dbraw/zinc/21/74/70/823217470.db2.gz UTAWQAWVRBOECH-FTSXVACHSA-N 2 0 389.927 4.178 20 0 GIADRP O=c1cc(C[N@@H+]2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)occ1O ZINC000571882511 823249429 /nfs/dbraw/zinc/24/94/29/823249429.db2.gz WARVRWPQHROIEJ-JOCHJYFZSA-N 2 0 396.531 4.002 20 0 GIADRP FC(F)(F)c1csc([C@H]2CCC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)n1 ZINC000572249759 823307399 /nfs/dbraw/zinc/30/73/99/823307399.db2.gz YFHYBKZEJNLLGC-HNNXBMFYSA-N 2 0 381.467 4.187 20 0 GIADRP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000015185965 818297660 /nfs/dbraw/zinc/29/76/60/818297660.db2.gz NSEWZEKOLCVCEP-UHFFFAOYSA-N 2 0 390.531 4.123 20 0 GIADRP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000122356426 823342901 /nfs/dbraw/zinc/34/29/01/823342901.db2.gz CZWPKYUKNZLFPI-INIZCTEOSA-N 2 0 396.560 4.305 20 0 GIADRP c1ccc(C[NH+]2CCC(OCCC[NH2+]CC3=Cc4ccccc4OC3)CC2)cc1 ZINC000176984223 823342416 /nfs/dbraw/zinc/34/24/16/823342416.db2.gz GNHPRWBILAFBAM-UHFFFAOYSA-N 2 0 392.543 4.123 20 0 GIADRP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)Nc1cccc2c1CC[NH2+]C2 ZINC000572464884 823345115 /nfs/dbraw/zinc/34/51/15/823345115.db2.gz KTTCLHBOMGAEPJ-UHFFFAOYSA-N 2 0 392.547 4.030 20 0 GIADRP C[N@H+](Cc1ccccc1NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)C1CCCCC1 ZINC000177101253 823371247 /nfs/dbraw/zinc/37/12/47/823371247.db2.gz VVALYCJJCKOILC-FQEVSTJZSA-N 2 0 398.595 4.401 20 0 GIADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000122996762 823445778 /nfs/dbraw/zinc/44/57/78/823445778.db2.gz GBULGCHLTISKCO-HXUWFJFHSA-N 3 0 381.564 4.074 20 0 GIADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000123019765 823449208 /nfs/dbraw/zinc/44/92/08/823449208.db2.gz RDGYCDGFOPGJKB-FQEVSTJZSA-N 3 0 381.564 4.074 20 0 GIADRP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)[C@H]1c1ccccc1 ZINC000573205845 823465117 /nfs/dbraw/zinc/46/51/17/823465117.db2.gz DYCUZKCIPVHTJR-TZRRMPRUSA-N 2 0 375.560 4.219 20 0 GIADRP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123117526 823465255 /nfs/dbraw/zinc/46/52/55/823465255.db2.gz USXHYNCXHFDXEI-OAHLLOKOSA-N 2 0 385.474 4.086 20 0 GIADRP Cc1cccc2oc(CC[NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)nc21 ZINC000410363332 823474761 /nfs/dbraw/zinc/47/47/61/823474761.db2.gz WFEZREXNAHZECG-WKCHPHFGSA-N 2 0 375.516 4.464 20 0 GIADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)CC3 ZINC000123341277 823498828 /nfs/dbraw/zinc/49/88/28/823498828.db2.gz RZHWBECHOFPROB-GOSISDBHSA-N 2 0 381.564 4.421 20 0 GIADRP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)CC3 ZINC000123638900 823528298 /nfs/dbraw/zinc/52/82/98/823528298.db2.gz QJJVSHKJINSVEL-FGTMMUONSA-N 2 0 381.564 4.276 20 0 GIADRP CC(C)[NH+]1CCC(NC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)CC1 ZINC000043391308 821401128 /nfs/dbraw/zinc/40/11/28/821401128.db2.gz PBIDSHDEGNNVLK-UHFFFAOYSA-N 2 0 386.584 4.445 20 0 GIADRP Cc1sc2nc([C@@H](C)[NH+]3CCC(CCC[NH+](C)C)CC3)nc(N)c2c1C ZINC000181191354 821686846 /nfs/dbraw/zinc/68/68/46/821686846.db2.gz NJCWUMCFVAKLOJ-CQSZACIVSA-N 2 0 375.586 4.005 20 0 GIADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000181413012 821812270 /nfs/dbraw/zinc/81/22/70/821812270.db2.gz GXVRYYNACCCZGJ-GJJHYRHESA-N 2 0 387.593 4.146 20 0 GIADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000181594525 821895033 /nfs/dbraw/zinc/89/50/33/821895033.db2.gz GYNMGGXVCOQRFA-FHERZECASA-N 2 0 385.474 4.133 20 0 GIADRP CC[N@H+](Cc1ccc(C(=O)N[C@H](C)[C@@H]2CCC[NH+](C3CCC3)C2)cc1)C(C)C ZINC000181662825 821929828 /nfs/dbraw/zinc/92/98/28/821929828.db2.gz UKSXFOGYQAOUNF-DENIHFKCSA-N 2 0 385.596 4.300 20 0 GIADRP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000181664247 821931270 /nfs/dbraw/zinc/93/12/70/821931270.db2.gz PYIOUUVRHMZKNF-WWDZGPRUSA-N 2 0 392.975 4.085 20 0 GIADRP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1cc2cc(Cl)ccc2o1 ZINC000181670318 821935610 /nfs/dbraw/zinc/93/56/10/821935610.db2.gz WIYXDFTUUVMSJI-HNNXBMFYSA-N 2 0 399.922 4.228 20 0 GIADRP CC(C)[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(Cl)cc1F ZINC000181934670 822039420 /nfs/dbraw/zinc/03/94/20/822039420.db2.gz MINPZASGMGSPKF-OAQYLSRUSA-N 2 0 390.934 4.113 20 0 GIADRP c1ccc(C2([NH2+]CC3(C[NH2+]C4(c5ccccc5)CCC4)COC3)CCC2)cc1 ZINC000182253663 822170373 /nfs/dbraw/zinc/17/03/73/822170373.db2.gz OZKNZIMWBSZULY-UHFFFAOYSA-N 2 0 376.544 4.341 20 0 GIADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000182258207 822172490 /nfs/dbraw/zinc/17/24/90/822172490.db2.gz GUQRGNQUAYMHQF-DQEYMECFSA-N 2 0 390.502 4.272 20 0 GIADRP CC(C)COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000182266925 822178184 /nfs/dbraw/zinc/17/81/84/822178184.db2.gz OYDIKSAFLOACLQ-XXBNENTESA-N 2 0 382.548 4.139 20 0 GIADRP COc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)cc1C[NH+]1CCCCC1 ZINC000182285389 822186632 /nfs/dbraw/zinc/18/66/32/822186632.db2.gz XBFNZTLRSKVWEQ-HTAPYJJXSA-N 2 0 386.511 4.204 20 0 GIADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]Cc2cccc(NC(C)=O)c2)ccc1OC ZINC000182425412 822239157 /nfs/dbraw/zinc/23/91/57/822239157.db2.gz YKRLOJUQYSWUDV-KRWDZBQOSA-N 2 0 383.536 4.346 20 0 GIADRP c1ccc([C@H]([NH2+]CC2(C[NH2+][C@@H](c3ccccc3)C3CC3)COC2)C2CC2)cc1 ZINC000182458171 822249940 /nfs/dbraw/zinc/24/99/40/822249940.db2.gz QJSWLUPISGEMRD-ZEQRLZLVSA-N 2 0 376.544 4.485 20 0 GIADRP COc1ccc([C@@H](C)NCc2c(Cl)cccc2N2CC[NH+](C)CC2)cc1F ZINC000178123858 822326636 /nfs/dbraw/zinc/32/66/36/822326636.db2.gz IYSVXLKKZYERPI-OAHLLOKOSA-N 2 0 391.918 4.090 20 0 GIADRP C[C@@H](Nc1cccc(C[NH+]2CCSCC2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000182802582 822370052 /nfs/dbraw/zinc/37/00/52/822370052.db2.gz ZIXCJTALYRMPGZ-LJQANCHMSA-N 2 0 399.604 4.349 20 0 GIADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCC(=O)Nc2ccccc2F)CC1 ZINC000178389763 822374339 /nfs/dbraw/zinc/37/43/39/822374339.db2.gz OMGZMPNDGKEKQO-SFHVURJKSA-N 2 0 375.532 4.131 20 0 GIADRP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000178478997 822383558 /nfs/dbraw/zinc/38/35/58/822383558.db2.gz IOMNMKSNSRPUMD-SFHVURJKSA-N 2 0 383.536 4.072 20 0 GIADRP COc1cc([C@@H](C)[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)cc(OC)c1OC ZINC000178634884 822398017 /nfs/dbraw/zinc/39/80/17/822398017.db2.gz SYGXZWBYQOHZBK-GOSISDBHSA-N 2 0 398.547 4.275 20 0 GIADRP C[C@H]([NH2+]Cc1ccc(Br)s1)c1cccc(OCC[NH+](C)C)c1 ZINC000178713467 822405111 /nfs/dbraw/zinc/40/51/11/822405111.db2.gz DNPJMOWVKFZUPA-ZDUSSCGKSA-N 2 0 383.355 4.302 20 0 GIADRP COc1ccc([C@@H](C)[NH2+]CCCCn2ccnc2C)cc1C[NH+]1CCCCC1 ZINC000183020524 822412381 /nfs/dbraw/zinc/41/23/81/822412381.db2.gz XBNQYNYVZOTZON-LJQANCHMSA-N 2 0 384.568 4.317 20 0 GIADRP COc1ccc([C@H](C)[NH2+][C@H](C)C[C@@H](O)c2ccco2)cc1C[NH+]1CCCCC1 ZINC000183146762 822430942 /nfs/dbraw/zinc/43/09/42/822430942.db2.gz GTQIIDMTQRWLAD-LVCYWYKZSA-N 2 0 386.536 4.437 20 0 GIADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1ncc(Br)s1 ZINC000179212689 822452020 /nfs/dbraw/zinc/45/20/20/822452020.db2.gz CZNYLLVOSJSBQX-AWEZNQCLSA-N 2 0 394.382 4.468 20 0 GIADRP COC(=O)COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000183315327 822457802 /nfs/dbraw/zinc/45/78/02/822457802.db2.gz YWWXASWIIDWXHQ-LJQANCHMSA-N 2 0 396.531 4.075 20 0 GIADRP CCc1nn(C)c(CC)c1C[NH2+][C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000183390730 822467518 /nfs/dbraw/zinc/46/75/18/822467518.db2.gz ZAQTZPAPUFGTIV-GOSISDBHSA-N 2 0 398.595 4.390 20 0 GIADRP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cc(C)ccc1OC ZINC000179424990 822480564 /nfs/dbraw/zinc/48/05/64/822480564.db2.gz OMFIUEHSVNCONL-HSZRJFAPSA-N 2 0 382.548 4.201 20 0 GIADRP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000179468394 822486949 /nfs/dbraw/zinc/48/69/49/822486949.db2.gz BYGWFFAJBPMMBT-INIZCTEOSA-N 2 0 393.560 4.476 20 0 GIADRP COc1ccc([C@@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c2ccccc12 ZINC000179509984 822493424 /nfs/dbraw/zinc/49/34/24/822493424.db2.gz UDBLPPKRNQPACF-QGZVFWFLSA-N 2 0 379.504 4.035 20 0 GIADRP CC[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cccc(Br)c1 ZINC000179511586 822493914 /nfs/dbraw/zinc/49/39/14/822493914.db2.gz YZWBROMNCNKRKU-GOSISDBHSA-N 2 0 392.341 4.025 20 0 GIADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1 ZINC000046904569 822528898 /nfs/dbraw/zinc/52/88/98/822528898.db2.gz FABSLKUFUDDRCC-NRFANRHFSA-N 2 0 383.536 4.078 20 0 GIADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000184083839 822575621 /nfs/dbraw/zinc/57/56/21/822575621.db2.gz OCOIIWWHVQGIEA-STXHMFSFSA-N 2 0 384.395 4.276 20 0 GIADRP CC(C)(C)OC(=O)NC1CCC([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000180019555 822597937 /nfs/dbraw/zinc/59/79/37/822597937.db2.gz HJVFSIGZYIDZTL-UHFFFAOYSA-N 2 0 387.568 4.208 20 0 GIADRP CC(C)(C)OC(=O)NC1CCC([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000180041401 822602791 /nfs/dbraw/zinc/60/27/91/822602791.db2.gz FBFBVKIHNCBOSO-UHFFFAOYSA-N 2 0 387.568 4.208 20 0 GIADRP Cc1ccc([C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c2ccccc2)cc1 ZINC000180060685 822606418 /nfs/dbraw/zinc/60/64/18/822606418.db2.gz KLOHCRRLRDSXNQ-RUZDIDTESA-N 2 0 386.543 4.021 20 0 GIADRP CC[NH+]1CCN(CCC[NH2+][C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC000180108718 822616756 /nfs/dbraw/zinc/61/67/56/822616756.db2.gz DNNAYODLOQPWQJ-QFIPXVFZSA-N 2 0 389.946 4.186 20 0 GIADRP CC(C)[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000180124154 822620295 /nfs/dbraw/zinc/62/02/95/822620295.db2.gz GAKHOFDLNDYANC-UZLBHIALSA-N 2 0 384.486 4.493 20 0 GIADRP COc1ccc([C@H](C)[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)cc1F ZINC000180268612 822651600 /nfs/dbraw/zinc/65/16/00/822651600.db2.gz XDJOMZSKURNGSL-KRWDZBQOSA-N 2 0 385.527 4.216 20 0 GIADRP CC1(C)[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C[C@@H]1c1ccccc1 ZINC000184557834 822657211 /nfs/dbraw/zinc/65/72/11/822657211.db2.gz STWFOKLBJOCSMM-DNQXCXABSA-N 2 0 378.560 4.315 20 0 GIADRP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ccnc(Oc3ccccc3)c2)cc1 ZINC000048711323 822679201 /nfs/dbraw/zinc/67/92/01/822679201.db2.gz GMGBBCWUTNVION-UHFFFAOYSA-N 2 0 377.488 4.104 20 0 GIADRP CC[N@H+](C)Cc1cccc(C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC000180451103 822684653 /nfs/dbraw/zinc/68/46/53/822684653.db2.gz UKCKSIRRRZMJAJ-UHFFFAOYSA-N 2 0 375.557 4.064 20 0 GIADRP C[NH+](C)Cc1ccc(C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)cc1 ZINC000174403044 822785156 /nfs/dbraw/zinc/78/51/56/822785156.db2.gz AHRCNQRFKDFEOG-OAQYLSRUSA-N 2 0 388.939 4.249 20 0 GIADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000174960074 822861599 /nfs/dbraw/zinc/86/15/99/822861599.db2.gz KJEKSQYXMCJCIZ-FQEVSTJZSA-N 2 0 395.547 4.471 20 0 GIADRP Clc1ccc(-c2ncc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)s2)cc1 ZINC000569268530 822898584 /nfs/dbraw/zinc/89/85/84/822898584.db2.gz DKBVBLQISPGXEM-UHFFFAOYSA-N 2 0 391.968 4.008 20 0 GIADRP CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)C1 ZINC000175217342 822906830 /nfs/dbraw/zinc/90/68/30/822906830.db2.gz AMJSACJWXNWTRT-HXUWFJFHSA-N 2 0 383.540 4.003 20 0 GIADRP Cc1ccccc1[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)C1CCC(C)CC1 ZINC000569687291 822955384 /nfs/dbraw/zinc/95/53/84/822955384.db2.gz YPJLXSKTKKBUHP-QRFVXNFXSA-N 2 0 381.568 4.237 20 0 GIADRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3ccc4c(c3)CCC(=O)N4C)cc2)C1 ZINC000187123511 823014023 /nfs/dbraw/zinc/01/40/23/823014023.db2.gz ARZIFKABABHEHD-IBGZPJMESA-N 2 0 391.559 4.117 20 0 GIADRP CN1c2ccc(C[NH2+]Cc3ccccc3C[NH+]3CCCCCC3)cc2CCC1=O ZINC000187236693 823028812 /nfs/dbraw/zinc/02/88/12/823028812.db2.gz VHNHEIHSIVSJHQ-UHFFFAOYSA-N 2 0 391.559 4.261 20 0 GIADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000570406343 823033604 /nfs/dbraw/zinc/03/36/04/823033604.db2.gz UYUCKSWBEMRRRC-JOCHJYFZSA-N 2 0 392.547 4.369 20 0 GIADRP C[C@@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)C1CCSCC1 ZINC000187278000 823035910 /nfs/dbraw/zinc/03/59/10/823035910.db2.gz OOJPVKFSRKVNJI-LJQANCHMSA-N 2 0 376.610 4.179 20 0 GIADRP C[C@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000177936819 823548298 /nfs/dbraw/zinc/54/82/98/823548298.db2.gz JXVJXQRXYSPFCC-BXKMTCNYSA-N 2 0 396.531 4.200 20 0 GIADRP c1ccn2c(c1)nnc2C1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411265399 823561062 /nfs/dbraw/zinc/56/10/62/823561062.db2.gz OSTJJYJAIUHQKW-UHFFFAOYSA-N 2 0 389.547 4.095 20 0 GIADRP CC(CC[NH+]1CCCC2(CCOCC2)C1)CC[N@@H+]1CCCC2(CCOCC2)C1 ZINC000411309119 823563801 /nfs/dbraw/zinc/56/38/01/823563801.db2.gz JBJIQWNRXFTXQF-UHFFFAOYSA-N 2 0 392.628 4.188 20 0 GIADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)[C@@H](C)C1 ZINC000411382760 823568179 /nfs/dbraw/zinc/56/81/79/823568179.db2.gz FSJITHKBVMZYSA-LEDOBFOHSA-N 2 0 399.604 4.006 20 0 GIADRP c1cc(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)ccc1C[NH+]1CCCCC1 ZINC000411428494 823573197 /nfs/dbraw/zinc/57/31/97/823573197.db2.gz PSADEMIDTOYTAS-NRFANRHFSA-N 2 0 379.552 4.048 20 0 GIADRP CCC[C@@H]([NH2+]CC(=O)NC1CC[NH+](CC)CC1)c1ccc(Cl)c(Cl)c1 ZINC000411451544 823575960 /nfs/dbraw/zinc/57/59/60/823575960.db2.gz HVIILKDACGICGY-GOSISDBHSA-N 2 0 386.367 4.025 20 0 GIADRP CC(CC[NH+]1CCCC[C@@H]1c1cc[nH]n1)CC[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000411719331 823599772 /nfs/dbraw/zinc/59/97/72/823599772.db2.gz NMKCPJVZMVFGEO-FGZHOGPDSA-N 2 0 384.572 4.303 20 0 GIADRP CSc1ccc([C@@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)cc1F ZINC000124671078 823615968 /nfs/dbraw/zinc/61/59/68/823615968.db2.gz IMFULZYRLMYERE-QGZVFWFLSA-N 2 0 379.589 4.149 20 0 GIADRP C[C@H]([NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)c1ccc(-n2cncn2)cc1 ZINC000124730228 823621694 /nfs/dbraw/zinc/62/16/94/823621694.db2.gz QRUYBKQCARHWLL-UFYCRDLUSA-N 2 0 389.547 4.075 20 0 GIADRP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000124736003 823621973 /nfs/dbraw/zinc/62/19/73/823621973.db2.gz TVMCJONZJLVKQL-QGZVFWFLSA-N 2 0 392.657 4.350 20 0 GIADRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cccc(-c2ccncc2)c1 ZINC000124789962 823626530 /nfs/dbraw/zinc/62/65/30/823626530.db2.gz NWLKVZUZNFOEGY-NRFANRHFSA-N 2 0 392.591 4.350 20 0 GIADRP C[C@@H](NC(=O)c1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000412254845 823640359 /nfs/dbraw/zinc/64/03/59/823640359.db2.gz YSMLVUJTCLVOEU-DENIHFKCSA-N 2 0 383.580 4.055 20 0 GIADRP CCC[NH+]1CCC([NH2+]C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000125342555 823669349 /nfs/dbraw/zinc/66/93/49/823669349.db2.gz OGTKEZPOMUFWDT-UHFFFAOYSA-N 2 0 383.502 4.134 20 0 GIADRP Cc1c([C@@H](C)[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)cnn1C(C)C ZINC000191327600 823672367 /nfs/dbraw/zinc/67/23/67/823672367.db2.gz JAVQHVNLXGLSKZ-HXUWFJFHSA-N 2 0 398.595 4.494 20 0 GIADRP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccc(-n2ccnc2)cc1 ZINC000125492583 823680489 /nfs/dbraw/zinc/68/04/89/823680489.db2.gz WJWRPHFWHGPVOB-SFHVURJKSA-N 2 0 380.561 4.497 20 0 GIADRP COCc1cc([C@H](C)[NH2+]CC2CC[NH+](Cc3cccs3)CC2)ccc1OC ZINC000125494428 823680694 /nfs/dbraw/zinc/68/06/94/823680694.db2.gz CSIMFGIWDDEALT-KRWDZBQOSA-N 2 0 388.577 4.466 20 0 GIADRP C[NH+](C)CC(C)(C)C[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191484159 823689940 /nfs/dbraw/zinc/68/99/40/823689940.db2.gz QZBJJYNYEDVCNN-SFHVURJKSA-N 2 0 383.374 4.094 20 0 GIADRP CCC[NH+]1CCC([NH2+]C[C@H](c2ccccc2)N2CCc3sccc3C2)CC1 ZINC000461794417 823696246 /nfs/dbraw/zinc/69/62/46/823696246.db2.gz ARUGKDSZTAPYCS-JOCHJYFZSA-N 2 0 383.605 4.312 20 0 GIADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000125789477 823711138 /nfs/dbraw/zinc/71/11/38/823711138.db2.gz XYZWTBPROJUIFC-JKSUJKDBSA-N 2 0 385.474 4.133 20 0 GIADRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(OCc3cn4cccc(C)c4n3)cc2)C1 ZINC000063917405 823711497 /nfs/dbraw/zinc/71/14/97/823711497.db2.gz WQWXQYJPVHSREY-OAQYLSRUSA-N 2 0 392.547 4.043 20 0 GIADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(N2CCOC2=O)cc1 ZINC000163928412 823762129 /nfs/dbraw/zinc/76/21/29/823762129.db2.gz YXQCGCWJBQFYJA-IBGZPJMESA-N 2 0 393.531 4.480 20 0 GIADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000574558766 823766400 /nfs/dbraw/zinc/76/64/00/823766400.db2.gz OQORENNRVALYRN-LJQANCHMSA-N 2 0 386.971 4.306 20 0 GIADRP FC(F)(F)CN1CCC([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000164177564 823783686 /nfs/dbraw/zinc/78/36/86/823783686.db2.gz OYLBAKIGWDMNCB-UHFFFAOYSA-N 2 0 383.502 4.179 20 0 GIADRP Cc1nccn1CCCC[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000164683518 823815715 /nfs/dbraw/zinc/81/57/15/823815715.db2.gz PQNIERWUGIFNSG-QGZVFWFLSA-N 2 0 378.314 4.238 20 0 GIADRP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc2c(c1)OCCCO2 ZINC000165307709 823843265 /nfs/dbraw/zinc/84/32/65/823843265.db2.gz RUHKPYIXYSRTEF-CTNGQTDRSA-N 2 0 380.532 4.063 20 0 GIADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000165934349 823866279 /nfs/dbraw/zinc/86/62/79/823866279.db2.gz RCJRUJWWJLMLJC-KBXCAEBGSA-N 2 0 379.545 4.265 20 0 GIADRP C[N@@H+]1CCC[C@H](CN[C@@H]2CC[NH+]3CCC[C@@H]3C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000166640356 823880527 /nfs/dbraw/zinc/88/05/27/823880527.db2.gz UIWQUEJKNHVCDK-WLRLJWMZSA-N 2 0 395.513 4.305 20 0 GIADRP Cc1nc(C)c([C@@H](C)[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000575007652 823885827 /nfs/dbraw/zinc/88/58/27/823885827.db2.gz JILZHXVVYKZISQ-UTKZUKDTSA-N 2 0 399.604 4.339 20 0 GIADRP COc1cc(F)c([C@H](C)[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1OC ZINC000168558258 823903546 /nfs/dbraw/zinc/90/35/46/823903546.db2.gz FCJIUAVFGBNVRF-HOTGVXAUSA-N 2 0 390.499 4.195 20 0 GIADRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]C3CCN(CCC(F)(F)F)CC3)cc2)C1 ZINC000575084823 823907265 /nfs/dbraw/zinc/90/72/65/823907265.db2.gz HWZXGWYVTDJCTR-SFHVURJKSA-N 2 0 397.529 4.425 20 0 GIADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)c2ccsc2S1 ZINC000126682292 823926268 /nfs/dbraw/zinc/92/62/68/823926268.db2.gz VHKKCJNQNCDQMV-JXFKEZNVSA-N 2 0 387.618 4.211 20 0 GIADRP COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2)CCC3)cc1 ZINC000575181452 823932790 /nfs/dbraw/zinc/93/27/90/823932790.db2.gz DRIAZGPXFCTGRZ-IBGZPJMESA-N 2 0 379.529 4.445 20 0 GIADRP CCC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccccc1 ZINC000414326482 823959000 /nfs/dbraw/zinc/95/90/00/823959000.db2.gz NWBWIYBQVYPOBU-HSZRJFAPSA-N 2 0 379.548 4.015 20 0 GIADRP OC1(C[NH2+]Cc2cc(Cl)cc3cccnc32)CC[NH+](Cc2ccccc2)CC1 ZINC000414532207 824003640 /nfs/dbraw/zinc/00/36/40/824003640.db2.gz AOYCNXIFYZIEMN-UHFFFAOYSA-N 2 0 395.934 4.005 20 0 GIADRP COc1cccc([C@@H]2C[C@H]2C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000414552025 824010378 /nfs/dbraw/zinc/01/03/78/824010378.db2.gz GGIHOFSGNZGFFH-URXFXBBRSA-N 2 0 393.575 4.119 20 0 GIADRP COc1ccc([C@@H](NC[C@@H]2CC[N@@H+](C3CC3)C2)C(C)C)c(Br)c1 ZINC000575959173 824038214 /nfs/dbraw/zinc/03/82/14/824038214.db2.gz LUOGUQKLAJUFKU-LIRRHRJNSA-N 2 0 381.358 4.229 20 0 GIADRP C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414821661 824039604 /nfs/dbraw/zinc/03/96/04/824039604.db2.gz BJLZXVHHONLCOS-PUQHWECBSA-N 2 0 380.576 4.490 20 0 GIADRP CC[NH+]1CCC(C[NH2+][C@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)CC1 ZINC000575968665 824041332 /nfs/dbraw/zinc/04/13/32/824041332.db2.gz JYLFZOGOEOEXEI-XMMPIXPASA-N 2 0 382.548 4.309 20 0 GIADRP CCCOc1c(Br)cc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1OCC ZINC000414855820 824042666 /nfs/dbraw/zinc/04/26/66/824042666.db2.gz NSYJWQZMSLPBDP-GOEBONIOSA-N 2 0 399.373 4.114 20 0 GIADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)nc1 ZINC001164386908 718815731 /nfs/dbraw/zinc/81/57/31/718815731.db2.gz BVVVPTZPJNBEPS-MJGOQNOKSA-N 2 0 396.501 4.139 20 0 GIADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)nc1 ZINC001164627498 719049054 /nfs/dbraw/zinc/04/90/54/719049054.db2.gz VKULXEOAEPNDCW-OYRHQHFDSA-N 2 0 390.575 4.212 20 0 GIADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H](O)c1ccc(F)cc1Cl ZINC000187395121 823055373 /nfs/dbraw/zinc/05/53/73/823055373.db2.gz YEPALFFAONCNAB-NRFANRHFSA-N 2 0 391.918 4.146 20 0 GIADRP C[N@H+](Cc1ccccc1NC(=O)NCc1ccc2c[nH+]cn2c1)C1CCCCC1 ZINC000570680933 823071699 /nfs/dbraw/zinc/07/16/99/823071699.db2.gz WDOXGFQDNMBIJE-UHFFFAOYSA-N 2 0 391.519 4.421 20 0 GIADRP C[NH+](C)CCOc1cccc(N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000570785291 823087077 /nfs/dbraw/zinc/08/70/77/823087077.db2.gz JVHJRBVAIGUGMZ-NUNAXRQHSA-N 2 0 379.548 4.235 20 0 GIADRP COc1ccccc1NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000056156180 823091556 /nfs/dbraw/zinc/09/15/56/823091556.db2.gz SIPVBDYJLFKMBF-MOPGFXCFSA-N 2 0 395.547 4.044 20 0 GIADRP O=C(CC[NH2+]C1CC[NH+](C2CCCC2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000571074562 823128349 /nfs/dbraw/zinc/12/83/49/823128349.db2.gz UHOZOTNRDCSOFD-UHFFFAOYSA-N 2 0 383.458 4.031 20 0 GIADRP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000571099583 823132125 /nfs/dbraw/zinc/13/21/25/823132125.db2.gz NIFJKLXXWRCNMT-VSDWSMLSSA-N 2 0 383.580 4.192 20 0 GIADRP C[N@H+](CCOc1cccc(C[NH2+]Cc2coc3ccccc23)c1)C1CCOCC1 ZINC000121255408 823148652 /nfs/dbraw/zinc/14/86/52/823148652.db2.gz MDGSDQXXZNCKDA-UHFFFAOYSA-N 2 0 394.515 4.212 20 0 GIADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2sc(-c3ccccc3)nc2C)CC1 ZINC000121323845 823163244 /nfs/dbraw/zinc/16/32/44/823163244.db2.gz FNCXWCKRNPLLQS-MSOLQXFVSA-N 2 0 386.609 4.043 20 0 GIADRP CC1CCN([C@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c2ccccc2)CC1 ZINC000459371175 823174713 /nfs/dbraw/zinc/17/47/13/823174713.db2.gz JFBJEBPNSAYEBV-XMMPIXPASA-N 2 0 378.564 4.113 20 0 GIADRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(C3CCCC3)nc2-c2ccccn2)[C@H](C)C1 ZINC000459376156 823176510 /nfs/dbraw/zinc/17/65/10/823176510.db2.gz NRHRXTDCZIYIIY-XMSQKQJNSA-N 2 0 381.568 4.222 20 0 GIADRP Brc1cccc(C2(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)CC2)c1 ZINC000459408116 823186536 /nfs/dbraw/zinc/18/65/36/823186536.db2.gz IGMLFROPPAHOBE-UHFFFAOYSA-N 2 0 386.337 4.134 20 0 GIADRP c1sc(CCc2ccccc2)nc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459459834 823196519 /nfs/dbraw/zinc/19/65/19/823196519.db2.gz IDDANYCZCPLNDX-UHFFFAOYSA-N 2 0 378.545 4.082 20 0 GIADRP COc1ccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)cc1OCCC(C)C ZINC000571572142 823202470 /nfs/dbraw/zinc/20/24/70/823202470.db2.gz UJVZMCQHUANBEB-UHFFFAOYSA-N 2 0 380.598 4.037 20 0 GIADRP COCC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cccc(C(F)(F)F)c1 ZINC000459576173 823223969 /nfs/dbraw/zinc/22/39/69/823223969.db2.gz UQXRGBCWXLOWPU-FQEVSTJZSA-N 2 0 393.453 4.437 20 0 GIADRP Clc1cc(Br)ccc1CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459581470 823224913 /nfs/dbraw/zinc/22/49/13/823224913.db2.gz CMKYVQPQCFXEOI-UHFFFAOYSA-N 2 0 394.744 4.299 20 0 GIADRP Fc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2N[C@H]2CC[NH+]3CCC[C@H]3C2)c1 ZINC000459729072 823257390 /nfs/dbraw/zinc/25/73/90/823257390.db2.gz GEZAUWAPAFMUJI-OJJQZRKESA-N 2 0 393.550 4.010 20 0 GIADRP CC[NH+]1CCC([NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccc(C)cc2)CC1 ZINC000017313590 818508555 /nfs/dbraw/zinc/50/85/55/818508555.db2.gz YVTUHBHHPKKSNW-UHFFFAOYSA-N 2 0 388.559 4.481 20 0 GIADRP C[NH+](C)CCOc1cnccc1C[NH2+]CCCc1c(Cl)cccc1Cl ZINC000572471401 823346121 /nfs/dbraw/zinc/34/61/21/823346121.db2.gz VHJQQOMVOXUHJH-UHFFFAOYSA-N 2 0 382.335 4.051 20 0 GIADRP C(CCC[NH+]1CCC([C@@H]2CCCO2)CC1)CC[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189163462 823368523 /nfs/dbraw/zinc/36/85/23/823368523.db2.gz OPGZFLJXOHSXRC-PSWAGMNNSA-N 2 0 392.628 4.329 20 0 GIADRP CC(C)[C@@H]([NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000027450687 820246165 /nfs/dbraw/zinc/24/61/65/820246165.db2.gz NLFVMYWCRDGPFV-GBXCKJPGSA-N 2 0 393.575 4.143 20 0 GIADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccccc1Cl ZINC000028899260 820368985 /nfs/dbraw/zinc/36/89/85/820368985.db2.gz VRMHXAXUUVSIGP-QGZVFWFLSA-N 2 0 385.939 4.443 20 0 GIADRP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)c1 ZINC000028899270 820369093 /nfs/dbraw/zinc/36/90/93/820369093.db2.gz OPOMZMUDLXGBNP-HXUWFJFHSA-N 2 0 379.548 4.406 20 0 GIADRP Cc1ccc(NC(=O)[C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)c(C)c1 ZINC000028899289 820369270 /nfs/dbraw/zinc/36/92/70/820369270.db2.gz YWHQAPJHRZGGEO-HXUWFJFHSA-N 2 0 379.548 4.406 20 0 GIADRP Fc1cccc(C[NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000030913921 820707703 /nfs/dbraw/zinc/70/77/03/820707703.db2.gz XOCJZWDWCDOGLJ-UHFFFAOYSA-N 2 0 389.518 4.438 20 0 GIADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cc(Cl)ccc1Cl ZINC000180643958 821379761 /nfs/dbraw/zinc/37/97/61/821379761.db2.gz YICVAMGCYMEOKG-KSSFIOAISA-N 2 0 379.331 4.411 20 0 GIADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000044277591 821558233 /nfs/dbraw/zinc/55/82/33/821558233.db2.gz HYJKIXFSVMEDDD-UHFFFAOYSA-N 2 0 388.581 4.186 20 0 GIADRP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c(C)s1 ZINC000180974659 821566519 /nfs/dbraw/zinc/56/65/19/821566519.db2.gz ZAOCAJFDIWOIAU-QGZVFWFLSA-N 2 0 385.577 4.041 20 0 GIADRP CC1CC[NH+](C2CCC([NH2+][C@H](c3cnn(C)c3)c3cccc(F)c3)CC2)CC1 ZINC000181003779 821587488 /nfs/dbraw/zinc/58/74/88/821587488.db2.gz SYTXZVIRQIMRJK-VNXZQDSDSA-N 2 0 384.543 4.281 20 0 GIADRP C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(Br)cc1Br ZINC000044516487 821598179 /nfs/dbraw/zinc/59/81/79/821598179.db2.gz RUHJHTSLZVPIBU-NSHDSACASA-N 2 0 390.163 4.204 20 0 GIADRP Cc1ccc([C@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c2ccccc2)cc1 ZINC000181034613 821604323 /nfs/dbraw/zinc/60/43/23/821604323.db2.gz IUWJXQFKMYHMKV-XMMPIXPASA-N 2 0 375.516 4.210 20 0 GIADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(Br)cc1 ZINC000181417222 821815271 /nfs/dbraw/zinc/81/52/71/821815271.db2.gz DZYZSKAZFPTOSC-ZCNNSNEGSA-N 2 0 395.385 4.258 20 0 GIADRP C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000181663853 821930460 /nfs/dbraw/zinc/93/04/60/821930460.db2.gz SLRAKJCIAOYFKL-PELRDEGISA-N 2 0 385.552 4.337 20 0 GIADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000182235495 822159982 /nfs/dbraw/zinc/15/99/82/822159982.db2.gz ZUZVTWOCUHTVHV-GGAORHGYSA-N 2 0 392.543 4.179 20 0 GIADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CC3(CCCC3)Oc3ccccc32)C1 ZINC000182268279 822180072 /nfs/dbraw/zinc/18/00/72/822180072.db2.gz YJSXLWRNFFAYSV-JTHBVZDNSA-N 2 0 392.543 4.179 20 0 GIADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC000182272256 822181415 /nfs/dbraw/zinc/18/14/15/822181415.db2.gz YPIKTYKMMCWCHC-LPHOPBHVSA-N 2 0 390.474 4.014 20 0 GIADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCCc3cc(SC(F)F)ccc32)CC1 ZINC000182410018 822233101 /nfs/dbraw/zinc/23/31/01/822233101.db2.gz DHFHXTQLMDBNBL-HXUWFJFHSA-N 2 0 397.579 4.386 20 0 GIADRP c1ccc([C@H]([NH2+]CC2(C[NH2+][C@H](c3ccccc3)C3CC3)COC2)C2CC2)cc1 ZINC000182458189 822249957 /nfs/dbraw/zinc/24/99/57/822249957.db2.gz QJSWLUPISGEMRD-PSWAGMNNSA-N 2 0 376.544 4.485 20 0 GIADRP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178035513 822292009 /nfs/dbraw/zinc/29/20/09/822292009.db2.gz MEMNDZJIXGDYJZ-SLFFLAALSA-N 2 0 389.584 4.006 20 0 GIADRP COC[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccc(F)c(F)c1 ZINC000182688101 822351647 /nfs/dbraw/zinc/35/16/47/822351647.db2.gz FNRYNMPWGTWKPV-FQEVSTJZSA-N 2 0 380.504 4.216 20 0 GIADRP COCCC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(Br)cc1 ZINC000178255010 822359070 /nfs/dbraw/zinc/35/90/70/822359070.db2.gz PVAYWPKAWUDDCD-FQEVSTJZSA-N 2 0 395.385 4.381 20 0 GIADRP COCCC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(Br)cc1 ZINC000178255023 822359368 /nfs/dbraw/zinc/35/93/68/822359368.db2.gz PVAYWPKAWUDDCD-HXUWFJFHSA-N 2 0 395.385 4.381 20 0 GIADRP COc1ccc([C@H](C)[NH2+]C[C@H](C)Cn2ccnc2C)cc1C[NH+]1CCCCC1 ZINC000182825798 822373793 /nfs/dbraw/zinc/37/37/93/822373793.db2.gz MSRBXANKMWHZLL-OALUTQOASA-N 2 0 384.568 4.173 20 0 GIADRP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)cc1NC(C)=O ZINC000178635485 822398272 /nfs/dbraw/zinc/39/82/72/822398272.db2.gz KHTPTLDIHGZENX-SFHVURJKSA-N 2 0 395.547 4.216 20 0 GIADRP C[C@@H]([NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183191156 822438573 /nfs/dbraw/zinc/43/85/73/822438573.db2.gz GDXWTIORQFIZDL-QKNQBKEWSA-N 2 0 396.579 4.303 20 0 GIADRP C[C@@H]([NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183197076 822439862 /nfs/dbraw/zinc/43/98/62/822439862.db2.gz DFJCVRUEMHKYSK-YYZRRKBYSA-N 2 0 379.589 4.065 20 0 GIADRP CCc1ccccc1NC(=O)[C@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179397067 822476834 /nfs/dbraw/zinc/47/68/34/822476834.db2.gz ZHAGUGAOKXOWHK-IBGZPJMESA-N 2 0 394.563 4.210 20 0 GIADRP C[C@@H]([NH2+]C[C@H](C)c1nc(-c2ccccc2)no1)c1cccc(OCC[NH+](C)C)c1 ZINC000179478370 822488330 /nfs/dbraw/zinc/48/83/30/822488330.db2.gz UTPNLIAECIPOPR-ZWKOTPCHSA-N 2 0 394.519 4.131 20 0 GIADRP COc1ccc2cc([C@H](C)[NH2+]Cc3ccnc(OCC[NH+](C)C)c3)ccc2c1 ZINC000179511161 822493635 /nfs/dbraw/zinc/49/36/35/822493635.db2.gz JSCKQTSEGDNDMJ-KRWDZBQOSA-N 2 0 379.504 4.035 20 0 GIADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)ccn1 ZINC000179511060 822493656 /nfs/dbraw/zinc/49/36/56/822493656.db2.gz UNHPMEHYVJLJJL-QGZVFWFLSA-N 2 0 380.319 4.106 20 0 GIADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](c1ccco1)c1ccc(Br)cc1 ZINC000183863376 822537729 /nfs/dbraw/zinc/53/77/29/822537729.db2.gz UMRJUFOZPNZVEZ-MJGOQNOKSA-N 2 0 395.341 4.078 20 0 GIADRP CC[NH+](CC)[C@@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000047302572 822563452 /nfs/dbraw/zinc/56/34/52/822563452.db2.gz DCEWCFYJWPKTHO-DEOSSOPVSA-N 2 0 393.575 4.098 20 0 GIADRP Cc1ccc([C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c2ccccc2)cc1 ZINC000180060697 822606514 /nfs/dbraw/zinc/60/65/14/822606514.db2.gz KLOHCRRLRDSXNQ-VWLOTQADSA-N 2 0 386.543 4.021 20 0 GIADRP C[C@H](C[NH2+][C@H](c1ccc(F)cc1)c1ccc(Cl)cc1)CN1CC[NH+](C)CC1 ZINC000180438356 822682161 /nfs/dbraw/zinc/68/21/61/822682161.db2.gz KRZYBTZPJKUZCT-VGSWGCGISA-N 2 0 389.946 4.042 20 0 GIADRP C[C@@H]([NH2+]Cc1sccc1Br)c1ccc(OCC[NH+](C)C)cc1 ZINC000180479990 822688782 /nfs/dbraw/zinc/68/87/82/822688782.db2.gz PDOONXJFERQAOM-CYBMUJFWSA-N 2 0 383.355 4.302 20 0 GIADRP C[C@H]([NH2+]Cc1sccc1Br)c1cccc(OCC[NH+](C)C)c1 ZINC000180480179 822689034 /nfs/dbraw/zinc/68/90/34/822689034.db2.gz YXXRSLXJMQOFCR-ZDUSSCGKSA-N 2 0 383.355 4.302 20 0 GIADRP CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455876997 822741236 /nfs/dbraw/zinc/74/12/36/822741236.db2.gz OKUPWUROLBOYKT-HSZRJFAPSA-N 2 0 394.563 4.399 20 0 GIADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)ccc21 ZINC000455880844 822741661 /nfs/dbraw/zinc/74/16/61/822741661.db2.gz SHMPEVQMOXWSFP-PKTZIBPZSA-N 2 0 392.547 4.194 20 0 GIADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000455905319 822746074 /nfs/dbraw/zinc/74/60/74/822746074.db2.gz HFJDOSZIQNYJMA-HMFYCAOWSA-N 2 0 386.584 4.115 20 0 GIADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC000456253536 822790359 /nfs/dbraw/zinc/79/03/59/822790359.db2.gz BFGKHXCDYFWKMA-HSZRJFAPSA-N 2 0 391.559 4.476 20 0 GIADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3C(F)(F)F)ccc21 ZINC000456309106 822796941 /nfs/dbraw/zinc/79/69/41/822796941.db2.gz JJPYLZZBJLZCDF-KURKYZTESA-N 2 0 397.485 4.083 20 0 GIADRP CCOc1ccccc1NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000053140063 822823287 /nfs/dbraw/zinc/82/32/87/822823287.db2.gz ABAHFQQAOXFRMQ-LJQANCHMSA-N 2 0 395.547 4.188 20 0 GIADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC000185871773 822828885 /nfs/dbraw/zinc/82/88/85/822828885.db2.gz PTLDNQLSVLHZQV-MRXNPFEDSA-N 2 0 377.985 4.184 20 0 GIADRP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3ccc(OCC(F)F)cc3)cc2)CC1 ZINC000569024109 822870665 /nfs/dbraw/zinc/87/06/65/822870665.db2.gz DJNIADVXKGSYGM-UHFFFAOYSA-N 2 0 390.474 4.093 20 0 GIADRP Cc1ccccc1COc1ccc([C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000186566220 822914291 /nfs/dbraw/zinc/91/42/91/822914291.db2.gz YNHIMQXDHFARSQ-YADHBBJMSA-N 2 0 395.591 4.251 20 0 GIADRP Cc1cccc(COc2ccc([C@@H](C)[NH2+][C@H](C)CCN3CC[NH+](C)CC3)cc2)c1 ZINC000186585787 822917829 /nfs/dbraw/zinc/91/78/29/822917829.db2.gz YUCHEEFZKMLAGZ-FGZHOGPDSA-N 2 0 395.591 4.251 20 0 GIADRP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000187125695 823014202 /nfs/dbraw/zinc/01/42/02/823014202.db2.gz LUASUQWNUXATIX-IBGZPJMESA-N 2 0 391.559 4.117 20 0 GIADRP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3ccc4c(c3)CCC(=O)N4C)c2)CC1 ZINC000187208708 823025064 /nfs/dbraw/zinc/02/50/64/823025064.db2.gz QOJNDXRDYGFONS-UHFFFAOYSA-N 2 0 391.559 4.117 20 0 GIADRP C[C@@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000177937852 823548474 /nfs/dbraw/zinc/54/84/74/823548474.db2.gz MHYMIJDTZXNTMJ-OSPHWJPCSA-N 2 0 396.531 4.200 20 0 GIADRP O=C(NC1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1)c1ccsc1 ZINC000411184375 823555328 /nfs/dbraw/zinc/55/53/28/823555328.db2.gz KOVYEBVGXSEYRA-UHFFFAOYSA-N 2 0 397.588 4.128 20 0 GIADRP COc1cc(C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)cc(OC)c1 ZINC000061000044 823571835 /nfs/dbraw/zinc/57/18/35/823571835.db2.gz DMBGPOYEILNCEN-OALUTQOASA-N 2 0 382.548 4.472 20 0 GIADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2ccc(Oc3ccccc3)cc2)CC1 ZINC000411448308 823575577 /nfs/dbraw/zinc/57/55/77/823575577.db2.gz CSSWWUQBOBGKIK-IBGZPJMESA-N 2 0 395.547 4.119 20 0 GIADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2ccc(Oc3ccccc3)cc2)CC1 ZINC000411448309 823575618 /nfs/dbraw/zinc/57/56/18/823575618.db2.gz CSSWWUQBOBGKIK-LJQANCHMSA-N 2 0 395.547 4.119 20 0 GIADRP CCC[C@H]([NH2+]CC(=O)NC1CC[NH+](CC)CC1)c1ccc(Cl)c(Cl)c1 ZINC000411451547 823576039 /nfs/dbraw/zinc/57/60/39/823576039.db2.gz HVIILKDACGICGY-SFHVURJKSA-N 2 0 386.367 4.025 20 0 GIADRP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1ccc(Br)cc1 ZINC000061069898 823576732 /nfs/dbraw/zinc/57/67/32/823576732.db2.gz UCOAJFACXBXBGL-UHFFFAOYSA-N 2 0 391.353 4.460 20 0 GIADRP CC(C)C[C@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1ccc(Cl)cc1 ZINC000411479107 823579616 /nfs/dbraw/zinc/57/96/16/823579616.db2.gz YWNKTAPOCZGMID-FQEVSTJZSA-N 2 0 379.976 4.006 20 0 GIADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411492902 823581172 /nfs/dbraw/zinc/58/11/72/823581172.db2.gz DOJRGFCOCQNSDJ-ZRCGQRJVSA-N 2 0 383.580 4.150 20 0 GIADRP C[C@H]([NH2+]CCC(=O)Nc1cccc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411517680 823583760 /nfs/dbraw/zinc/58/37/60/823583760.db2.gz NHTFBZJIKQFXOP-ICSRJNTNSA-N 2 0 379.548 4.411 20 0 GIADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H]3CCCOc4ccccc43)cc2)C[C@@H](C)O1 ZINC000124626581 823612358 /nfs/dbraw/zinc/61/23/58/823612358.db2.gz ZZTYTLQGQPIHKJ-DNVFCKCGSA-N 2 0 380.532 4.299 20 0 GIADRP C[C@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c2ccsc2S1 ZINC000124670390 823615944 /nfs/dbraw/zinc/61/59/44/823615944.db2.gz PSQHLIRVSCFDCU-FUHWJXTLSA-N 2 0 379.639 4.213 20 0 GIADRP COc1cc(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)c2ccccc2n1 ZINC000124861103 823631917 /nfs/dbraw/zinc/63/19/17/823631917.db2.gz RXBHTGZCZZGOSV-QGZVFWFLSA-N 2 0 379.504 4.035 20 0 GIADRP CCOc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)ccc1OCc1ccccc1 ZINC000062427183 823635213 /nfs/dbraw/zinc/63/52/13/823635213.db2.gz VUPFHVVDVCUEDW-QFIPXVFZSA-N 2 0 382.548 4.484 20 0 GIADRP C[C@H](NC(=O)c1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000412254852 823640416 /nfs/dbraw/zinc/64/04/16/823640416.db2.gz YSMLVUJTCLVOEU-SIKLNZKXSA-N 2 0 383.580 4.055 20 0 GIADRP CC(C)C[NH+]1CCC(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000063645471 823686400 /nfs/dbraw/zinc/68/64/00/823686400.db2.gz MVNOLLKRKLXMIW-HXUWFJFHSA-N 2 0 385.596 4.045 20 0 GIADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191484144 823689955 /nfs/dbraw/zinc/68/99/55/823689955.db2.gz QZBJJYNYEDVCNN-GOSISDBHSA-N 2 0 383.374 4.094 20 0 GIADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2ccc(OC)c(NC(C)=O)c2)c1 ZINC000163563177 823722470 /nfs/dbraw/zinc/72/24/70/823722470.db2.gz KEUPWBRKZRMDSR-KRWDZBQOSA-N 2 0 383.536 4.346 20 0 GIADRP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](CCC(C)C)CC2)cc1NC(C)=O ZINC000163592232 823726015 /nfs/dbraw/zinc/72/60/15/823726015.db2.gz HMNXBRLREUSBQS-KRWDZBQOSA-N 2 0 375.557 4.062 20 0 GIADRP C[C@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccccc1F ZINC000163932995 823762158 /nfs/dbraw/zinc/76/21/58/823762158.db2.gz SCTKBFFKSHIPOH-SFHVURJKSA-N 2 0 386.511 4.166 20 0 GIADRP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000163946453 823764433 /nfs/dbraw/zinc/76/44/33/823764433.db2.gz PZMYGKYKHGDSOQ-OFVILXPXSA-N 2 0 392.591 4.068 20 0 GIADRP COCOc1ccc(OC)cc1C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000164377955 823798989 /nfs/dbraw/zinc/79/89/89/823798989.db2.gz OEIWUQHGYNTMJL-UHFFFAOYSA-N 2 0 398.547 4.344 20 0 GIADRP C[C@H](CC(=O)N1CCCCCC1)[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000164513650 823806678 /nfs/dbraw/zinc/80/66/78/823806678.db2.gz UPVUIQHIHRQKML-HXUWFJFHSA-N 2 0 397.563 4.182 20 0 GIADRP O=C(c1ccccc1Cl)N1CCC([NH2+]CCCCC[NH+]2CCCCC2)CC1 ZINC000164609645 823812169 /nfs/dbraw/zinc/81/21/69/823812169.db2.gz OHHISKZQLBGFIH-UHFFFAOYSA-N 2 0 391.987 4.190 20 0 GIADRP c1ccc(C[NH+]2CCC(OCCC[NH2+][C@@H]3CCc4ccccc4C3)CC2)cc1 ZINC000462108419 823829529 /nfs/dbraw/zinc/82/95/29/823829529.db2.gz ACYLSCNLADPQDE-XMMPIXPASA-N 2 0 378.560 4.205 20 0 GIADRP Fc1ccc([C@@H]2OCC[C@H]2[NH2+]C2CCN(CCc3ccccc3)CC2)cc1F ZINC000126295233 823832667 /nfs/dbraw/zinc/83/26/67/823832667.db2.gz DQKFINHQZKVRJP-PKTZIBPZSA-N 2 0 386.486 4.092 20 0 GIADRP C[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(N2CCCC2=O)c1 ZINC000165318677 823843300 /nfs/dbraw/zinc/84/33/00/823843300.db2.gz WRAOJIXADMBYJS-IFMALSPDSA-N 2 0 391.559 4.029 20 0 GIADRP COc1ccc([C@@H](C[NH+](C)C)N[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000574877610 823849710 /nfs/dbraw/zinc/84/97/10/823849710.db2.gz QPMFPIIMVHZEEQ-LADGPHEKSA-N 2 0 393.575 4.085 20 0 GIADRP CC1CC[NH+](Cc2cccc(C[NH2+]C3CCN(CC(F)(F)F)CC3)c2)CC1 ZINC000126424317 823863290 /nfs/dbraw/zinc/86/32/90/823863290.db2.gz CXONOJBIEJNOMF-UHFFFAOYSA-N 2 0 383.502 4.035 20 0 GIADRP [NH3+][C@H](CCC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)c1ccccc1 ZINC000166409024 823877559 /nfs/dbraw/zinc/87/75/59/823877559.db2.gz BWGFKYCEBLHMMJ-HSZRJFAPSA-N 2 0 379.548 4.159 20 0 GIADRP C[C@@H](C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)[C@@H]([NH3+])c1ccccc1 ZINC000166415783 823877570 /nfs/dbraw/zinc/87/75/70/823877570.db2.gz XBKLPSPHODRXMY-AUSIDOKSSA-N 2 0 379.548 4.015 20 0 GIADRP c1cn(Cc2ccc(-c3ccccc3C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)cn1 ZINC000166485092 823878561 /nfs/dbraw/zinc/87/85/61/823878561.db2.gz IUSWJLFPNFSNGM-BJKOFHAPSA-N 2 0 386.543 4.315 20 0 GIADRP Clc1ccc(CN2CCC([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1Cl ZINC000166605650 823879970 /nfs/dbraw/zinc/87/99/70/823879970.db2.gz KXRMFZBJCLTMPK-ZWKOTPCHSA-N 2 0 382.379 4.174 20 0 GIADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1)c1ccc(-n2cncn2)cc1 ZINC000126488777 823882006 /nfs/dbraw/zinc/88/20/06/823882006.db2.gz PPAZBZCLVYZLHV-HXUWFJFHSA-N 2 0 389.547 4.350 20 0 GIADRP Cc1ccc(OC(F)F)c(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000168610107 823904835 /nfs/dbraw/zinc/90/48/35/823904835.db2.gz ZGZQWIAOPCEWMY-INIZCTEOSA-N 2 0 378.463 4.388 20 0 GIADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000414091588 823907155 /nfs/dbraw/zinc/90/71/55/823907155.db2.gz LUHFZTDKCGCKGA-HLRQEUIKSA-N 2 0 376.972 4.334 20 0 GIADRP CSc1ccc([C@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cc1F ZINC000126683076 823926233 /nfs/dbraw/zinc/92/62/33/823926233.db2.gz ZLTAPGYSRPAENQ-KRWDZBQOSA-N 2 0 387.568 4.146 20 0 GIADRP COc1ccc(C)cc1[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000126701489 823930659 /nfs/dbraw/zinc/93/06/59/823930659.db2.gz FGUBPYNDKIHIDO-QZTJIDSGSA-N 2 0 385.527 4.306 20 0 GIADRP COc1ccc(C)cc1[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000126701717 823931135 /nfs/dbraw/zinc/93/11/35/823931135.db2.gz FGUBPYNDKIHIDO-MSOLQXFVSA-N 2 0 385.527 4.306 20 0 GIADRP CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1ccccc1OC ZINC000126750655 823941931 /nfs/dbraw/zinc/94/19/31/823941931.db2.gz UVPDLYOIFLTSTP-UWJYYQICSA-N 2 0 385.527 4.388 20 0 GIADRP c1csc(C[N@H+]2CCC[C@H](CNC3CC[NH+](C4CCCCC4)CC3)C2)c1 ZINC000126770547 823947029 /nfs/dbraw/zinc/94/70/29/823947029.db2.gz DAISKHDTAHCFGT-LJQANCHMSA-N 2 0 375.626 4.347 20 0 GIADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)[C@@H](C)C1CCCCC1 ZINC000414321169 823958032 /nfs/dbraw/zinc/95/80/32/823958032.db2.gz DSIYWJRRTFYDMU-MOPGFXCFSA-N 2 0 385.596 4.078 20 0 GIADRP CC(C)C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccccc1 ZINC000414325816 823958733 /nfs/dbraw/zinc/95/87/33/823958733.db2.gz MQPYQEXUNYQXAI-XMMPIXPASA-N 2 0 393.575 4.261 20 0 GIADRP CC[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccc(C(=O)OC)cc1 ZINC000575436568 823971364 /nfs/dbraw/zinc/97/13/64/823971364.db2.gz PMRWZXLEVFIKCK-HSZRJFAPSA-N 2 0 396.531 4.187 20 0 GIADRP Cc1ccc(C[N@@H+]2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000414453947 823988027 /nfs/dbraw/zinc/98/80/27/823988027.db2.gz CGCDQBHGRLRIDG-XMMPIXPASA-N 2 0 378.564 4.442 20 0 GIADRP C[C@@H](O)[C@](C)(C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000575785892 823995173 /nfs/dbraw/zinc/99/51/73/823995173.db2.gz ABHWMKFORJDQEU-JQOLTRQRSA-N 2 0 380.576 4.116 20 0 GIADRP Clc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000414779675 824035500 /nfs/dbraw/zinc/03/55/00/824035500.db2.gz AERUVSBYTBHUDC-UHFFFAOYSA-N 2 0 380.923 4.093 20 0 GIADRP CCC([NH3+])(CC)C[NH2+][C@H](C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000414811189 824038138 /nfs/dbraw/zinc/03/81/38/824038138.db2.gz PBGNCQWMBMNBLH-LLVKDONJSA-N 2 0 379.854 4.183 20 0 GIADRP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414897359 824047204 /nfs/dbraw/zinc/04/72/04/824047204.db2.gz DTMJOSLAPHBXAB-GFCCVEGCSA-N 2 0 391.865 4.055 20 0 GIADRP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414965393 824054729 /nfs/dbraw/zinc/05/47/29/824054729.db2.gz FSBJPHUQZYOJQF-QWHCGFSZSA-N 2 0 391.865 4.198 20 0 GIADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@H]3[NH2+]Cc4ccccc4[C@H]3C2)nc1 ZINC001164427569 718946648 /nfs/dbraw/zinc/94/66/48/718946648.db2.gz FQFSTEJCZVVWOT-DNVJHFABSA-N 2 0 376.548 4.094 20 0 GIADRP Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(N4CCCC4)cc[nH+]2)CC3)cs1 ZINC001164691570 719811382 /nfs/dbraw/zinc/81/13/82/719811382.db2.gz HNRGUMPVZKGDHM-UHFFFAOYSA-N 2 0 397.592 4.082 20 0 GIADRP Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ccc(C[NH+]4CCCC4)cn2)C3)c1 ZINC001164995038 722207498 /nfs/dbraw/zinc/20/74/98/722207498.db2.gz KLZIBNYATVJCEO-XMMPIXPASA-N 2 0 394.538 4.061 20 0 GIADRP COc1ccccc1NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000056154996 823091053 /nfs/dbraw/zinc/09/10/53/823091053.db2.gz MSVNWRNJGKNWPL-IBGZPJMESA-N 2 0 395.547 4.044 20 0 GIADRP O=C(Nc1ccc(SCC[NH+]2CCCCC2)cc1)C1CC[NH+](C2CC2)CC1 ZINC000571168223 823143446 /nfs/dbraw/zinc/14/34/46/823143446.db2.gz LYBNEUIZDOLAEY-UHFFFAOYSA-N 2 0 387.593 4.078 20 0 GIADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000121303855 823159314 /nfs/dbraw/zinc/15/93/14/823159314.db2.gz FNQBYDOXCFMXOU-KGLIPLIRSA-N 2 0 376.347 4.057 20 0 GIADRP O=C(CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)Nc1ccc(Cl)cc1 ZINC000571391575 823176425 /nfs/dbraw/zinc/17/64/25/823176425.db2.gz FZPZYXBEDNUASF-GOSISDBHSA-N 2 0 377.960 4.257 20 0 GIADRP CC[NH+]1CCC(CC[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000459409419 823186650 /nfs/dbraw/zinc/18/66/50/823186650.db2.gz AZVCWDPDPQJJTF-UHFFFAOYSA-N 2 0 381.568 4.272 20 0 GIADRP C[C@@H](CCc1ccco1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000571466692 823186981 /nfs/dbraw/zinc/18/69/81/823186981.db2.gz DKKBVRCDFBBLKN-RBBKRZOGSA-N 2 0 382.548 4.119 20 0 GIADRP C[C@@H](CCc1ccco1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000571466693 823187059 /nfs/dbraw/zinc/18/70/59/823187059.db2.gz DKKBVRCDFBBLKN-UNMCSNQZSA-N 2 0 382.548 4.119 20 0 GIADRP C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459425255 823189896 /nfs/dbraw/zinc/18/98/96/823189896.db2.gz BGFBNQNAQLPKGK-AWEZNQCLSA-N 2 0 392.316 4.173 20 0 GIADRP COc1cccc(Oc2ncccc2C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000459430826 823190891 /nfs/dbraw/zinc/19/08/91/823190891.db2.gz LQQGTDJWGMXGGR-UHFFFAOYSA-N 2 0 390.487 4.036 20 0 GIADRP C[C@H]1C[N@H+](CCC[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)CCCO1 ZINC000571545047 823198636 /nfs/dbraw/zinc/19/86/36/823198636.db2.gz NURBCKLCEVIHIU-KXBFYZLASA-N 2 0 386.458 4.127 20 0 GIADRP Clc1ccc(N2CC[C@H]([NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)c(Cl)c1 ZINC000459498846 823204848 /nfs/dbraw/zinc/20/48/48/823204848.db2.gz VZUYUKHPPPTRFH-KRWDZBQOSA-N 2 0 391.346 4.226 20 0 GIADRP Clc1ccc([C@H]2CCCCC[C@@H]2[NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)cc1 ZINC000571633870 823212642 /nfs/dbraw/zinc/21/26/42/823212642.db2.gz DIZPRIQSQDXIRB-MOPGFXCFSA-N 2 0 387.959 4.131 20 0 GIADRP CC[NH+]1CCC(CC[NH2+][C@H](C)CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000121684420 823230202 /nfs/dbraw/zinc/23/02/02/823230202.db2.gz SIPKZSMZKICSTG-OAHLLOKOSA-N 2 0 385.474 4.134 20 0 GIADRP C[C@@H]([NH2+]C/C=C/C[NH2+][C@@H](C)c1nc2c(s1)CCC2)c1nc2c(s1)CCC2 ZINC000459634772 823234294 /nfs/dbraw/zinc/23/42/94/823234294.db2.gz RXXMZBOKTBUWOU-ISANGGDFSA-N 2 0 388.606 4.135 20 0 GIADRP C[C@H]([NH2+]C/C=C/C[NH2+][C@@H](C)c1nc2c(s1)CCC2)c1nc2c(s1)CCC2 ZINC000459634775 823234590 /nfs/dbraw/zinc/23/45/90/823234590.db2.gz RXXMZBOKTBUWOU-NVFZZLLCSA-N 2 0 388.606 4.135 20 0 GIADRP Cc1c([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)cnn1-c1ccc(F)cc1 ZINC000122313535 823336393 /nfs/dbraw/zinc/33/63/93/823336393.db2.gz LKCYTGIEKIYVKK-QGZVFWFLSA-N 2 0 396.510 4.111 20 0 GIADRP CC[NH+](CC)CC1CC[NH+](CCCc2nc(-c3ccc(C)c(F)c3)no2)CC1 ZINC000057847490 823340968 /nfs/dbraw/zinc/34/09/68/823340968.db2.gz QTNPLXRIJBYIPA-UHFFFAOYSA-N 2 0 388.531 4.171 20 0 GIADRP C(CCC[NH+]1CCC([C@H]2CCCO2)CC1)CC[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189163505 823368421 /nfs/dbraw/zinc/36/84/21/823368421.db2.gz OPGZFLJXOHSXRC-DNQXCXABSA-N 2 0 392.628 4.329 20 0 GIADRP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)CC1 ZINC000122810972 823416423 /nfs/dbraw/zinc/41/64/23/823416423.db2.gz FCMZNKMXOQGMQI-SFHVURJKSA-N 2 0 392.609 4.176 20 0 GIADRP Cc1c(O)ccc2c(C[NH2+]Cc3ccccc3C[NH+]3CCCCC3)cc(=O)oc12 ZINC000025702461 820016420 /nfs/dbraw/zinc/01/64/20/820016420.db2.gz BNNYYOSXTSERPY-UHFFFAOYSA-N 2 0 392.499 4.083 20 0 GIADRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1cccc(N2CCOC2=O)c1 ZINC000122995159 823445465 /nfs/dbraw/zinc/44/54/65/823445465.db2.gz LNSVZFXQNNWMON-GOSISDBHSA-N 2 0 379.504 4.090 20 0 GIADRP CN(c1ccccc1C[NH2+]CCc1c[nH]c2ccc(F)cc12)C1CC[NH+](C)CC1 ZINC000573468353 823493847 /nfs/dbraw/zinc/49/38/47/823493847.db2.gz DKLJIZMRLYHXFQ-UHFFFAOYSA-N 2 0 394.538 4.170 20 0 GIADRP c1c(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000030907274 820706762 /nfs/dbraw/zinc/70/67/62/820706762.db2.gz PKGJVPPETXKEEA-OAQYLSRUSA-N 2 0 386.543 4.172 20 0 GIADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000177696944 823514557 /nfs/dbraw/zinc/51/45/57/823514557.db2.gz LFLIRJITQVJAHD-RTBURBONSA-N 2 0 397.529 4.128 20 0 GIADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000177778702 823525036 /nfs/dbraw/zinc/52/50/36/823525036.db2.gz JINIQSWHKBKXCD-RPWUZVMVSA-N 2 0 391.559 4.017 20 0 GIADRP COc1ccc2cc([C@@H](C)[NH2+]Cc3ccccc3C[N@@H+]3CC[C@H](O)C3)ccc2c1 ZINC000180644066 821380034 /nfs/dbraw/zinc/38/00/34/821380034.db2.gz NHCCRYPLBNWPEF-KOSHJBKYSA-N 2 0 390.527 4.266 20 0 GIADRP C[C@@H]([NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000180690847 821397072 /nfs/dbraw/zinc/39/70/72/821397072.db2.gz VGEBFBGQDYMNHF-FOIQADDNSA-N 2 0 396.453 4.030 20 0 GIADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(Cl)s1 ZINC000180974558 821566809 /nfs/dbraw/zinc/56/68/09/821566809.db2.gz VQTBQIMSSNGPEU-HNNXBMFYSA-N 2 0 391.968 4.078 20 0 GIADRP CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(Cl)cc1 ZINC000180975514 821567727 /nfs/dbraw/zinc/56/77/27/821567727.db2.gz VNPNRQOBYBLSAY-JOCHJYFZSA-N 2 0 399.966 4.407 20 0 GIADRP Cc1cc2cc([C@H](C)[NH2+]Cc3ccc(C(=O)NCC[NH+](C)C)cc3)oc2cc1C ZINC000180999168 821584421 /nfs/dbraw/zinc/58/44/21/821584421.db2.gz CGMHLXHVFYLQGV-SFHVURJKSA-N 2 0 393.531 4.192 20 0 GIADRP Cc1cc2ncc([C@H](C)[NH2+]Cc3ccc(C[NH+]4CCC(C)CC4)cc3)c(C)n2n1 ZINC000181193448 821689072 /nfs/dbraw/zinc/68/90/72/821689072.db2.gz BNSVUMDUBYHUIH-IBGZPJMESA-N 2 0 391.563 4.429 20 0 GIADRP Cc1cc2ncc([C@@H](C)[NH2+]Cc3ccccc3C[N@@H+]3CCC[C@H](C)C3)c(C)n2n1 ZINC000181202989 821694976 /nfs/dbraw/zinc/69/49/76/821694976.db2.gz XDJCDTZIAULCJI-PKOBYXMFSA-N 2 0 391.563 4.429 20 0 GIADRP COc1cccc2[nH]cc(CC[NH2+][C@H](C)c3cccc(OCC[NH+](C)C)c3)c21 ZINC000181331708 821764495 /nfs/dbraw/zinc/76/44/95/821764495.db2.gz ZELSUAVVHDTQEG-QGZVFWFLSA-N 2 0 381.520 4.010 20 0 GIADRP COc1cccc2cc([C@H](C)[NH2+]Cc3ccc(CN4CC[NH+](C)CC4)cc3)oc21 ZINC000181541764 821874244 /nfs/dbraw/zinc/87/42/44/821874244.db2.gz ATXLXGOIXVPGPC-SFHVURJKSA-N 2 0 393.531 4.040 20 0 GIADRP C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1cccc(N2CCOC2=O)c1 ZINC000181665072 821931891 /nfs/dbraw/zinc/93/18/91/821931891.db2.gz XJDYEGGRYOICRM-PELRDEGISA-N 2 0 385.552 4.337 20 0 GIADRP CC(=O)Nc1ccc([C@H](C)[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000182121995 822103467 /nfs/dbraw/zinc/10/34/67/822103467.db2.gz BELRUTIFCZEOQW-FHWLQOOXSA-N 2 0 379.548 4.452 20 0 GIADRP COc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)OCCO3)cc1C[NH+]1CCCCC1 ZINC000182216434 822152241 /nfs/dbraw/zinc/15/22/41/822152241.db2.gz ODVQFASSJKUNFD-SFHVURJKSA-N 2 0 396.531 4.303 20 0 GIADRP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cc(C)ccc1OC ZINC000182225058 822155777 /nfs/dbraw/zinc/15/57/77/822155777.db2.gz DIJPIXMNSGGPBE-GGAORHGYSA-N 2 0 382.548 4.201 20 0 GIADRP CCC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(OC)cc1 ZINC000182237744 822161205 /nfs/dbraw/zinc/16/12/05/822161205.db2.gz ZBQSIKVASWOWRS-VWNXMTODSA-N 2 0 382.548 4.283 20 0 GIADRP Cc1cc(C)c2c(c1)[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)CCCO2 ZINC000182242012 822163456 /nfs/dbraw/zinc/16/34/56/822163456.db2.gz GSUFOIDOLJZCMX-ISKFKSNPSA-N 2 0 394.559 4.264 20 0 GIADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]Cc2cccc(NC(C)=O)c2)ccc1OC ZINC000182425393 822238800 /nfs/dbraw/zinc/23/88/00/822238800.db2.gz YKRLOJUQYSWUDV-QGZVFWFLSA-N 2 0 383.536 4.346 20 0 GIADRP CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)C1 ZINC000178002540 822277916 /nfs/dbraw/zinc/27/79/16/822277916.db2.gz MOQABIGRTAKUPS-LJQANCHMSA-N 2 0 386.584 4.257 20 0 GIADRP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178038267 822293439 /nfs/dbraw/zinc/29/34/39/822293439.db2.gz ISPFUIYNMQIZTK-IXDOHACOSA-N 2 0 388.581 4.054 20 0 GIADRP CC(C)C(=O)Nc1ccc(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000178479008 822383404 /nfs/dbraw/zinc/38/34/04/822383404.db2.gz IOMNMKSNSRPUMD-GOSISDBHSA-N 2 0 383.536 4.072 20 0 GIADRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1cccc(N2CCOC2=O)c1 ZINC000178635041 822397991 /nfs/dbraw/zinc/39/79/91/822397991.db2.gz BWLHENSPTCGDAE-IBGZPJMESA-N 2 0 393.531 4.206 20 0 GIADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)ccc1OC ZINC000182963912 822400729 /nfs/dbraw/zinc/40/07/29/822400729.db2.gz GYUKISFWVRLLSZ-DLBZAZTESA-N 2 0 398.551 4.439 20 0 GIADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(Br)cc1Br ZINC000045663988 822403600 /nfs/dbraw/zinc/40/36/00/822403600.db2.gz WXAAFAVMLHXDDM-LLVKDONJSA-N 2 0 378.152 4.204 20 0 GIADRP Cc1nc(C)c([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)s1 ZINC000178758667 822407609 /nfs/dbraw/zinc/40/76/09/822407609.db2.gz ZWJUVXRLVCATPF-UONOGXRCSA-N 2 0 376.545 4.063 20 0 GIADRP Cc1nc(C)c([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)s1 ZINC000178758678 822407630 /nfs/dbraw/zinc/40/76/30/822407630.db2.gz ZWJUVXRLVCATPF-KBPBESRZSA-N 2 0 376.545 4.063 20 0 GIADRP COc1ccc([C@H](C)[NH2+]C[C@H](CCO)c2ccccc2)cc1C[NH+]1CCCCC1 ZINC000183009303 822410638 /nfs/dbraw/zinc/41/06/38/822410638.db2.gz CTHYIOXJHPGRBD-REWPJTCUSA-N 2 0 396.575 4.498 20 0 GIADRP COc1ccc([C@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)cc1C[NH+]1CCCCC1 ZINC000183011142 822411124 /nfs/dbraw/zinc/41/11/24/822411124.db2.gz XMQARUXLAQPRND-HTAPYJJXSA-N 2 0 388.577 4.301 20 0 GIADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000183193837 822439189 /nfs/dbraw/zinc/43/91/89/822439189.db2.gz NLTMXXZWFCKDTL-JENIJYKNSA-N 2 0 384.568 4.274 20 0 GIADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3ccccn3)C2)cc1C[NH+]1CCCCC1 ZINC000183387890 822467272 /nfs/dbraw/zinc/46/72/72/822467272.db2.gz YMOKPRQKXAWJJE-SIKLNZKXSA-N 2 0 394.563 4.006 20 0 GIADRP Cc1cc2ncc([C@@H](C)[NH2+]Cc3cccc(C[NH+]4CCC(C)CC4)c3)c(C)n2n1 ZINC000179424543 822480543 /nfs/dbraw/zinc/48/05/43/822480543.db2.gz DHDGECAPEQTZTB-LJQANCHMSA-N 2 0 391.563 4.429 20 0 GIADRP CC(C)c1ccc2c(c1)[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)CCCO2 ZINC000179511392 822493623 /nfs/dbraw/zinc/49/36/23/822493623.db2.gz RMMCTYPHPVVHGP-OAQYLSRUSA-N 2 0 383.536 4.149 20 0 GIADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCCSc3ccc(Cl)cc32)ccn1 ZINC000179511462 822493690 /nfs/dbraw/zinc/49/36/90/822493690.db2.gz FSZJUZAMKPOSJM-GOSISDBHSA-N 2 0 391.968 4.392 20 0 GIADRP CC(C)c1cnc(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000183858882 822537038 /nfs/dbraw/zinc/53/70/38/822537038.db2.gz AVHGYSRUMHSTTN-UHFFFAOYSA-N 2 0 387.593 4.427 20 0 GIADRP CC[NH+](CC)[C@@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccsc1 ZINC000047306839 822564077 /nfs/dbraw/zinc/56/40/77/822564077.db2.gz QOIKEEQCDIYHMK-QFIPXVFZSA-N 2 0 399.604 4.159 20 0 GIADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000180135375 822623555 /nfs/dbraw/zinc/62/35/55/822623555.db2.gz RCKMNCBMXVNGIN-VCAKUFKGSA-N 2 0 381.605 4.170 20 0 GIADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H](c2ccccc2F)C2CCCC2)cc1 ZINC000180180076 822633538 /nfs/dbraw/zinc/63/35/38/822633538.db2.gz YVRNZRQYQDACLP-QHCPKHFHSA-N 2 0 397.538 4.138 20 0 GIADRP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC(c2ccccc2)c2ccccc2)CC1 ZINC000180245465 822647504 /nfs/dbraw/zinc/64/75/04/822647504.db2.gz GAJVJQVTCLAULE-DQEYMECFSA-N 2 0 378.560 4.176 20 0 GIADRP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]Cc2c[nH]nc2-c2cccs2)C[C@H](C)O1 ZINC000048816664 822684157 /nfs/dbraw/zinc/68/41/57/822684157.db2.gz YNJNHUOPJZCXTC-CALCHBBNSA-N 2 0 396.560 4.037 20 0 GIADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455875167 822740880 /nfs/dbraw/zinc/74/08/80/822740880.db2.gz APUKJWQEQAARRY-HSZRJFAPSA-N 2 0 394.563 4.397 20 0 GIADRP COCCC1(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCCCC1 ZINC000185225542 822751702 /nfs/dbraw/zinc/75/17/02/822751702.db2.gz JCPGCIIIGOPYOJ-UHFFFAOYSA-N 2 0 387.612 4.294 20 0 GIADRP C[N@H+](CCN1CC[NH+](CC2CCC(C(F)(F)F)CC2)CC1)Cc1ccccc1 ZINC000185509832 822791915 /nfs/dbraw/zinc/79/19/15/822791915.db2.gz WHKCNLGIBWRCSO-UHFFFAOYSA-N 2 0 397.529 4.105 20 0 GIADRP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000186154962 822856449 /nfs/dbraw/zinc/85/64/49/822856449.db2.gz OSSKMVBFIIAFIG-XMMPIXPASA-N 2 0 378.560 4.427 20 0 GIADRP C[C@H]([NH3+])c1ccc(CNC(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)cc1 ZINC000568972734 822866706 /nfs/dbraw/zinc/86/67/06/822866706.db2.gz RMGIWOXDXGMNSG-INIZCTEOSA-N 2 0 389.503 4.228 20 0 GIADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)cc1 ZINC000186366308 822882624 /nfs/dbraw/zinc/88/26/24/822882624.db2.gz VEENZRXXPGGYKU-UHFFFAOYSA-N 2 0 398.547 4.342 20 0 GIADRP COc1cccc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1OC ZINC000569312429 822905868 /nfs/dbraw/zinc/90/58/68/822905868.db2.gz IGQXXSXALDLKSI-KOUNCHBCSA-N 2 0 380.532 4.032 20 0 GIADRP CC(CC[NH+]1CC[C@@H](c2cccnc2)C1)CC[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000569336967 822908891 /nfs/dbraw/zinc/90/88/91/822908891.db2.gz VLOASOAQWKBGOA-DNQXCXABSA-N 2 0 378.564 4.172 20 0 GIADRP Cc1cccc(COc2ccc([C@@H](C)[NH2+][C@@H](C)CCN3CC[NH+](C)CC3)cc2)c1 ZINC000186585747 822917783 /nfs/dbraw/zinc/91/77/83/822917783.db2.gz YUCHEEFZKMLAGZ-FCHUYYIVSA-N 2 0 395.591 4.251 20 0 GIADRP Cc1cccc(COc2ccc([C@H](C)[NH2+][C@H](C)CCN3CC[NH+](C)CC3)cc2)c1 ZINC000186585805 822917857 /nfs/dbraw/zinc/91/78/57/822917857.db2.gz YUCHEEFZKMLAGZ-YADHBBJMSA-N 2 0 395.591 4.251 20 0 GIADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(-c2ccccc2F)s1 ZINC000186587870 822918082 /nfs/dbraw/zinc/91/80/82/822918082.db2.gz DRSMYMOENUDDBT-IRXDYDNUSA-N 2 0 375.557 4.231 20 0 GIADRP COc1ccccc1-c1ccc([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000186590657 822918896 /nfs/dbraw/zinc/91/88/96/822918896.db2.gz NIQQCZORLGQMKM-VQTJNVASSA-N 2 0 381.564 4.039 20 0 GIADRP FC(F)(F)c1cccc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000569511738 822932359 /nfs/dbraw/zinc/93/23/59/822932359.db2.gz JWBFQGCZBFICJL-OWZKRDHZSA-N 2 0 389.465 4.428 20 0 GIADRP C[NH+](C)CCC1CC[NH+]([C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)CC1 ZINC000175448815 822971319 /nfs/dbraw/zinc/97/13/19/822971319.db2.gz ALKUPNFFYJRFFY-JOCHJYFZSA-N 2 0 390.531 4.490 20 0 GIADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)c3ccc([C@@H](C)[NH3+])cc3)ccc21 ZINC000569807678 822971796 /nfs/dbraw/zinc/97/17/96/822971796.db2.gz RCXVFVHSWJYLOL-QGZVFWFLSA-N 2 0 378.520 4.255 20 0 GIADRP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000187125285 823014337 /nfs/dbraw/zinc/01/43/37/823014337.db2.gz KAPPQACZEVONMP-UHFFFAOYSA-N 2 0 391.559 4.117 20 0 GIADRP CC1CCN(C(=O)C2CC[NH+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)CC1 ZINC000411172166 823554185 /nfs/dbraw/zinc/55/41/85/823554185.db2.gz KRSFYNHDBFEDDN-UHFFFAOYSA-N 2 0 397.607 4.143 20 0 GIADRP CC(C)[NH+]1CCC([N@H+](C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000411223066 823558496 /nfs/dbraw/zinc/55/84/96/823558496.db2.gz HFGVIEBVPDEPLK-HSZRJFAPSA-N 2 0 399.604 4.148 20 0 GIADRP CCC[C@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC000411450774 823575754 /nfs/dbraw/zinc/57/57/54/823575754.db2.gz GNZJJILEQARWOD-IBGZPJMESA-N 2 0 399.501 4.125 20 0 GIADRP CC(C)C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1ccc(Cl)cc1 ZINC000411479109 823579670 /nfs/dbraw/zinc/57/96/70/823579670.db2.gz YWNKTAPOCZGMID-HXUWFJFHSA-N 2 0 379.976 4.006 20 0 GIADRP C[C@H](CC[NH+]1CCC([C@H]2CCCO2)CC1)CC[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000411615173 823590901 /nfs/dbraw/zinc/59/09/01/823590901.db2.gz RLRYOUMKLUFBTH-GCORVILKSA-N 2 0 392.628 4.185 20 0 GIADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(Br)c(Br)c2)C1 ZINC000124545590 823605277 /nfs/dbraw/zinc/60/52/77/823605277.db2.gz CWSUMCMMOHZPBT-CYBMUJFWSA-N 2 0 390.163 4.032 20 0 GIADRP C[NH+]1CCC(CC[NH2+]Cc2ccc(Br)c(Br)c2)CC1 ZINC000124556114 823606270 /nfs/dbraw/zinc/60/62/70/823606270.db2.gz BZNSOFNYBXOJIQ-UHFFFAOYSA-N 2 0 390.163 4.033 20 0 GIADRP COc1cc([C@@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)ccc1SC ZINC000124737593 823622126 /nfs/dbraw/zinc/62/21/26/823622126.db2.gz KVUKKJKOMODDLT-GOSISDBHSA-N 2 0 391.625 4.018 20 0 GIADRP CC[NH+](CC)CCN(CC(C)C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000062528651 823640112 /nfs/dbraw/zinc/64/01/12/823640112.db2.gz SYNUSGZUYGTKJS-UHFFFAOYSA-N 2 0 394.648 4.041 20 0 GIADRP Cc1c([C@H](C)[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cnn1C(C)(C)C ZINC000191146743 823653596 /nfs/dbraw/zinc/65/35/96/823653596.db2.gz HBAPRTKXIGCIDW-OTWHNJEPSA-N 2 0 398.595 4.407 20 0 GIADRP Cc1c([C@H](C)[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cnn1C(C)C ZINC000191224085 823660713 /nfs/dbraw/zinc/66/07/13/823660713.db2.gz YFBGKSFRLNMZGD-QRVBRYPASA-N 2 0 384.568 4.232 20 0 GIADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3ccccc3OC(C)C)CC2)cc1 ZINC000063319673 823662136 /nfs/dbraw/zinc/66/21/36/823662136.db2.gz JLEKICYSNIDTQA-UHFFFAOYSA-N 2 0 382.548 4.484 20 0 GIADRP COCCOc1ccc([C@@H](C)[NH2+]CC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000125466750 823678513 /nfs/dbraw/zinc/67/85/13/823678513.db2.gz KRHYNHTWJIWGHD-GOSISDBHSA-N 2 0 388.577 4.336 20 0 GIADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)CC(=O)Nc2cccnc2Cl)cc1 ZINC000163559528 823721266 /nfs/dbraw/zinc/72/12/66/823721266.db2.gz HGRPIKLQBIFINF-MRXNPFEDSA-N 2 0 388.943 4.084 20 0 GIADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000163785783 823748811 /nfs/dbraw/zinc/74/88/11/823748811.db2.gz YVXPCQLMZHTYRL-QGZVFWFLSA-N 2 0 383.536 4.346 20 0 GIADRP COc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)cc1NC(C)=O ZINC000163941293 823763207 /nfs/dbraw/zinc/76/32/07/823763207.db2.gz MZKHFHKBYLAWSG-GOSISDBHSA-N 2 0 395.547 4.490 20 0 GIADRP C[C@H](C[NH2+][C@@H]1CCCCC[C@H]1c1ccc(Cl)cc1)CN1CC[NH+](C)CC1 ZINC000574554104 823764100 /nfs/dbraw/zinc/76/41/00/823764100.db2.gz YFZMGQPIPOWNGD-BVYCBKJFSA-N 2 0 378.004 4.229 20 0 GIADRP C[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000163955229 823765527 /nfs/dbraw/zinc/76/55/27/823765527.db2.gz LTVJYUYIOMHTFP-DFBJGRDBSA-N 2 0 394.559 4.199 20 0 GIADRP C[N@H+](CCOc1cccc(C[NH2+][C@@H]2CCc3ccc(F)cc32)c1)C1CCOCC1 ZINC000163962150 823766123 /nfs/dbraw/zinc/76/61/23/823766123.db2.gz SCASHISCQRGZDT-XMMPIXPASA-N 2 0 398.522 4.092 20 0 GIADRP C[N@H+](CCOc1cccc(C[NH2+][C@H]2CCCc3ccccc32)c1)C1CCOCC1 ZINC000163970570 823766809 /nfs/dbraw/zinc/76/68/09/823766809.db2.gz CGIRRTKYKGMUTL-VWLOTQADSA-N 2 0 394.559 4.343 20 0 GIADRP C[C@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccc(F)cc1 ZINC000163970225 823766880 /nfs/dbraw/zinc/76/68/80/823766880.db2.gz SDHOVTWWOKTSMI-SFHVURJKSA-N 2 0 386.511 4.166 20 0 GIADRP CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)cc1Cl ZINC000574601856 823777054 /nfs/dbraw/zinc/77/70/54/823777054.db2.gz LXVVYDHHVMJHSK-MRXNPFEDSA-N 2 0 391.943 4.313 20 0 GIADRP CCCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000461982756 823781515 /nfs/dbraw/zinc/78/15/15/823781515.db2.gz HMLTXCWMSJNUAB-DEOSSOPVSA-N 2 0 393.575 4.265 20 0 GIADRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000461984989 823782722 /nfs/dbraw/zinc/78/27/22/823782722.db2.gz FNFMJUFFNDPTIB-DEOSSOPVSA-N 2 0 391.559 4.318 20 0 GIADRP CCCC[NH+]1CCC([NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000164497196 823805264 /nfs/dbraw/zinc/80/52/64/823805264.db2.gz PMGNMKXHWCBFRO-UHFFFAOYSA-N 2 0 381.967 4.298 20 0 GIADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000164509016 823806047 /nfs/dbraw/zinc/80/60/47/823806047.db2.gz HBGBSTOIJAEFRW-UHFFFAOYSA-N 2 0 390.531 4.065 20 0 GIADRP C[C@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)c1ccc2c(c1)OCO2 ZINC000164523479 823806708 /nfs/dbraw/zinc/80/67/08/823806708.db2.gz ZNHRFQMYWMLAAQ-KRWDZBQOSA-N 2 0 378.472 4.491 20 0 GIADRP C[N@@H+]1CCC[C@H](CNC2CC[NH+](CCc3ccccc3)CC2)[C@@H]1c1cccs1 ZINC000164963660 823827177 /nfs/dbraw/zinc/82/71/77/823827177.db2.gz HMHQZGCAAHZEQE-ZJSXRUAMSA-N 2 0 397.632 4.428 20 0 GIADRP C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000165167139 823837287 /nfs/dbraw/zinc/83/72/87/823837287.db2.gz PSLSQSQGMYHJCY-KRWDZBQOSA-N 2 0 395.547 4.098 20 0 GIADRP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000165300150 823842622 /nfs/dbraw/zinc/84/26/22/823842622.db2.gz MDVZKDLRZFORBL-QUCCMNQESA-N 2 0 391.559 4.132 20 0 GIADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2-c2ccc(Cn3ccnc3)cc2)[C@H](C)C1 ZINC000165555221 823853695 /nfs/dbraw/zinc/85/36/95/823853695.db2.gz YTFPJJJMTYEKBN-CJFMBICVSA-N 2 0 388.559 4.418 20 0 GIADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](c3ncc[nH]3)c3ccccc3)CC2)cc1 ZINC000126412701 823860568 /nfs/dbraw/zinc/86/05/68/823860568.db2.gz SAFCHCWKESSRDQ-HSZRJFAPSA-N 2 0 390.531 4.010 20 0 GIADRP C[C@@H](NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000165981669 823867461 /nfs/dbraw/zinc/86/74/61/823867461.db2.gz VRIRLCPIHQKAQT-IFMALSPDSA-N 2 0 397.607 4.058 20 0 GIADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC000126509562 823887563 /nfs/dbraw/zinc/88/75/63/823887563.db2.gz DVNPKPCDBXUZEM-HNSVSWJLSA-N 2 0 383.458 4.027 20 0 GIADRP Clc1cccc([C@@H]2CCC[C@@H]([NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)C2)c1 ZINC000414079030 823903608 /nfs/dbraw/zinc/90/36/08/823903608.db2.gz BQTPIXSOWRAAPN-LRXVAGHRSA-N 2 0 376.972 4.457 20 0 GIADRP COc1cc(F)c([C@H](C)[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1OC ZINC000168537847 823904008 /nfs/dbraw/zinc/90/40/08/823904008.db2.gz HOIVPYWACISJQX-CVEARBPZSA-N 2 0 390.499 4.195 20 0 GIADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000414199017 823927043 /nfs/dbraw/zinc/92/70/43/823927043.db2.gz XCAYNXWRKGEHOX-WOJBJXKFSA-N 2 0 392.547 4.296 20 0 GIADRP CCC[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccccc1 ZINC000414326487 823959027 /nfs/dbraw/zinc/95/90/27/823959027.db2.gz NWBWIYBQVYPOBU-QHCPKHFHSA-N 2 0 379.548 4.015 20 0 GIADRP CCC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccsc1 ZINC000414331732 823959979 /nfs/dbraw/zinc/95/99/79/823959979.db2.gz CZRBDHIXOJNTKP-OAQYLSRUSA-N 2 0 385.577 4.076 20 0 GIADRP Fc1ccc(N2CC[C@@H]([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)cc1 ZINC000414342628 823961732 /nfs/dbraw/zinc/96/17/32/823961732.db2.gz ITUBULANWGMBDZ-KOVSNXQUSA-N 2 0 379.523 4.190 20 0 GIADRP CC(C)CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccoc1 ZINC000414348210 823962342 /nfs/dbraw/zinc/96/23/42/823962342.db2.gz XKWGMSMIWLAQHD-HSZRJFAPSA-N 2 0 397.563 4.244 20 0 GIADRP CC(C)(C)c1ccc(C[NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)s1 ZINC000414557188 824011893 /nfs/dbraw/zinc/01/18/93/824011893.db2.gz POJUCDYEHPBPQU-UHFFFAOYSA-N 2 0 399.604 4.033 20 0 GIADRP CC(C)Sc1cccc(Cl)c1C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000192522252 824019092 /nfs/dbraw/zinc/01/90/92/824019092.db2.gz UZBFZMXTDDZZCJ-UHFFFAOYSA-N 2 0 396.044 4.489 20 0 GIADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)CC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000414806635 824037867 /nfs/dbraw/zinc/03/78/67/824037867.db2.gz HWWFDPFSXYPYLZ-ZIAGYGMSSA-N 2 0 379.426 4.232 20 0 GIADRP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000414815326 824039206 /nfs/dbraw/zinc/03/92/06/824039206.db2.gz PCMZZMHSJVLCDA-OAHLLOKOSA-N 2 0 388.437 4.260 20 0 GIADRP Brc1ccc(-c2ncc(C[NH2+]CC[C@H]3CCC[NH2+]C3)s2)cc1 ZINC000414833548 824040258 /nfs/dbraw/zinc/04/02/58/824040258.db2.gz GJCMGSDHWHCCIJ-CYBMUJFWSA-N 2 0 380.355 4.052 20 0 GIADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)nc1 ZINC001164413129 718881829 /nfs/dbraw/zinc/88/18/29/718881829.db2.gz CDPBXKRMFXFWKH-QZTJIDSGSA-N 2 0 396.501 4.282 20 0 GIADRP CC(C)Oc1cc[nH+]c(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164792625 721496838 /nfs/dbraw/zinc/49/68/38/721496838.db2.gz SOHUQSRAPNSLFH-UHFFFAOYSA-N 2 0 380.536 4.145 20 0 GIADRP C[N@H+](Cc1ccc(N2CCC[C@]3(CC[NH+]3Cc3cccc(F)c3)C2)nc1)C1CC1 ZINC001164995103 722209860 /nfs/dbraw/zinc/20/98/60/722209860.db2.gz LDSKHGLSQKFSJL-DEOSSOPVSA-N 2 0 394.538 4.060 20 0 GIADRP Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ncccc2C[NH+]2CCCC2)C3)c1 ZINC001164997516 722212825 /nfs/dbraw/zinc/21/28/25/722212825.db2.gz RCWXBTSIJVFJKS-XMMPIXPASA-N 2 0 394.538 4.061 20 0 GIADRP COc1ccc(-c2ccncc2)cc1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000187350767 823047523 /nfs/dbraw/zinc/04/75/23/823047523.db2.gz DESOJKAOIPQBDU-UHFFFAOYSA-N 2 0 388.515 4.158 20 0 GIADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCc4ccc(SC)cc43)cn2)CC1 ZINC000570632352 823064706 /nfs/dbraw/zinc/06/47/06/823064706.db2.gz LFDMCIPZICNROK-QFIPXVFZSA-N 2 0 396.604 4.113 20 0 GIADRP COc1cc([C@@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)ccc1OC(F)F ZINC000120867249 823079606 /nfs/dbraw/zinc/07/96/06/823079606.db2.gz FAYPXAAGIWFGFW-CYBMUJFWSA-N 2 0 382.426 4.348 20 0 GIADRP C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056522159 823161629 /nfs/dbraw/zinc/16/16/29/823161629.db2.gz LDNSQUJOLRTCIU-AWEZNQCLSA-N 2 0 396.457 4.480 20 0 GIADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2sc(-c3ccccc3)nc2C)CC1 ZINC000121324180 823163480 /nfs/dbraw/zinc/16/34/80/823163480.db2.gz FNCXWCKRNPLLQS-QZTJIDSGSA-N 2 0 386.609 4.043 20 0 GIADRP Cc1ccc(Cl)cc1N1CC[C@@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000459406844 823186201 /nfs/dbraw/zinc/18/62/01/823186201.db2.gz KMOBDMRBSDFACM-SFHVURJKSA-N 2 0 384.955 4.128 20 0 GIADRP C[C@H](CCc1ccco1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000571466691 823187117 /nfs/dbraw/zinc/18/71/17/823187117.db2.gz DKKBVRCDFBBLKN-IRLDBZIGSA-N 2 0 382.548 4.119 20 0 GIADRP C[NH+](C)CC1(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)CCCC1 ZINC000459484615 823201930 /nfs/dbraw/zinc/20/19/30/823201930.db2.gz UGAZJEVSKHKHMA-UHFFFAOYSA-N 2 0 381.568 4.272 20 0 GIADRP COc1cc(Br)ccc1[C@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459497106 823204466 /nfs/dbraw/zinc/20/44/66/823204466.db2.gz RCFLXEBKTLXXLB-AWEZNQCLSA-N 2 0 390.325 4.172 20 0 GIADRP CC1(C)CC(NC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC(C)(C)[NH2+]1 ZINC000056764463 823209058 /nfs/dbraw/zinc/20/90/58/823209058.db2.gz QMYVLPPWUCPSQR-UHFFFAOYSA-N 2 0 386.584 4.146 20 0 GIADRP COCC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cccc(C(F)(F)F)c1 ZINC000459576174 823223822 /nfs/dbraw/zinc/22/38/22/823223822.db2.gz UQXRGBCWXLOWPU-HXUWFJFHSA-N 2 0 393.453 4.437 20 0 GIADRP C[NH+](C)CCC1CC[NH+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000121657337 823224156 /nfs/dbraw/zinc/22/41/56/823224156.db2.gz IEUUAJLHJCUMGO-QHCPKHFHSA-N 2 0 399.604 4.008 20 0 GIADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000571721285 823224691 /nfs/dbraw/zinc/22/46/91/823224691.db2.gz GZRGFCRWMUVHMA-ILBGXUMGSA-N 2 0 399.623 4.057 20 0 GIADRP CCOc1cc(CN2CCC(C[N@H+](C)C(C)C)CC2)cc(Br)c1O ZINC000571761107 823231407 /nfs/dbraw/zinc/23/14/07/823231407.db2.gz HGRPDTQSSBHXGJ-UHFFFAOYSA-N 2 0 399.373 4.106 20 0 GIADRP CC[NH+]1CCC(CC[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000121825658 823258749 /nfs/dbraw/zinc/25/87/49/823258749.db2.gz QCKRUCPGXHUFGK-UHFFFAOYSA-N 2 0 381.967 4.155 20 0 GIADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ncc(-c3ccc(F)cc3)o2)CC1 ZINC000122094010 823305471 /nfs/dbraw/zinc/30/54/71/823305471.db2.gz XQSKFAJIEDDUGF-UHFFFAOYSA-N 2 0 389.515 4.051 20 0 GIADRP c1nc(C2CC2)c(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000572382857 823330367 /nfs/dbraw/zinc/33/03/67/823330367.db2.gz JLMKJECXUBOFAC-FQEVSTJZSA-N 2 0 397.588 4.039 20 0 GIADRP C[C@@H](C(=O)Nc1ccccc1C[NH+](C)C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000572509387 823351829 /nfs/dbraw/zinc/35/18/29/823351829.db2.gz HQVFYEWLUOKXIQ-IBGZPJMESA-N 2 0 379.548 4.030 20 0 GIADRP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1OC(F)F ZINC000572671142 823379582 /nfs/dbraw/zinc/37/95/82/823379582.db2.gz ROXPQGCJGQDXPQ-LPHOPBHVSA-N 2 0 390.474 4.297 20 0 GIADRP CSCc1cccc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000189474787 823425098 /nfs/dbraw/zinc/42/50/98/823425098.db2.gz LWOCJLPEILVGOB-UHFFFAOYSA-N 2 0 383.605 4.370 20 0 GIADRP CN(C)[C@@H](C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000573096740 823446807 /nfs/dbraw/zinc/44/68/07/823446807.db2.gz DTILYSDILUZQQB-VHYCJAOWSA-N 2 0 383.555 4.461 20 0 GIADRP C[C@@H]1C[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000177475788 823471483 /nfs/dbraw/zinc/47/14/83/823471483.db2.gz YJIACTFZVIZABQ-YKSBVNFPSA-N 2 0 391.559 4.065 20 0 GIADRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CCc3c2cc(Br)cc3F)c1 ZINC000123608907 823525276 /nfs/dbraw/zinc/52/52/76/823525276.db2.gz FECKQLOIXRHHLE-IBGZPJMESA-N 2 0 377.301 4.427 20 0 GIADRP CC(C)C[NH+]1CCN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)CC1 ZINC000043391294 821400992 /nfs/dbraw/zinc/40/09/92/821400992.db2.gz CIQQYBXRZKXOEG-UHFFFAOYSA-N 2 0 386.584 4.257 20 0 GIADRP Clc1cccc(-c2noc(CC[NH2+]C3CC[NH+](C4CCCCC4)CC3)n2)c1 ZINC000180902792 821526611 /nfs/dbraw/zinc/52/66/11/821526611.db2.gz DFHVZHVETMFADD-UHFFFAOYSA-N 2 0 388.943 4.319 20 0 GIADRP CC1(C)C[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c2ccccc21 ZINC000180975314 821567255 /nfs/dbraw/zinc/56/72/55/821567255.db2.gz KLQLSMMSJJWSDL-HSZRJFAPSA-N 2 0 391.559 4.024 20 0 GIADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(Cl)cc1 ZINC000180974885 821567390 /nfs/dbraw/zinc/56/73/90/821567390.db2.gz PFLIINVHONSZRV-QGZVFWFLSA-N 2 0 385.939 4.016 20 0 GIADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(Cl)cc1 ZINC000180974868 821567420 /nfs/dbraw/zinc/56/74/20/821567420.db2.gz PFLIINVHONSZRV-KRWDZBQOSA-N 2 0 385.939 4.016 20 0 GIADRP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000180976730 821568441 /nfs/dbraw/zinc/56/84/41/821568441.db2.gz WIIAWUNKMNJDOT-AUSIDOKSSA-N 2 0 391.559 4.159 20 0 GIADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cccc(Cl)c1Cl ZINC000180999610 821585103 /nfs/dbraw/zinc/58/51/03/821585103.db2.gz CIKWBOWLZDBRDJ-CQSZACIVSA-N 2 0 394.346 4.136 20 0 GIADRP C[C@@H]([NH2+]Cc1ccccc1N1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000181266631 821725104 /nfs/dbraw/zinc/72/51/04/821725104.db2.gz YDVTXWCPFYDSLW-HXUWFJFHSA-N 2 0 381.564 4.468 20 0 GIADRP COCCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000181373328 821793805 /nfs/dbraw/zinc/79/38/05/821793805.db2.gz DUOMMRCHOCHPMC-QGZVFWFLSA-N 2 0 387.593 4.477 20 0 GIADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000181413035 821812582 /nfs/dbraw/zinc/81/25/82/821812582.db2.gz GXVRYYNACCCZGJ-FEHORTKBSA-N 2 0 387.593 4.146 20 0 GIADRP COc1cc([C@H](C)[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)cc(OC)c1OC ZINC000181664937 821931883 /nfs/dbraw/zinc/93/18/83/821931883.db2.gz IHAOQNBELWMIAK-KKXNLOMOSA-N 2 0 390.568 4.406 20 0 GIADRP COc1cc([C@@H](C)[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)cc(OC)c1OC ZINC000181664960 821931974 /nfs/dbraw/zinc/93/19/74/821931974.db2.gz IHAOQNBELWMIAK-QHGAOEGBSA-N 2 0 390.568 4.406 20 0 GIADRP CCCC[N@H+](C)CC1CC[NH+](Cc2coc(-c3ccc(C(=O)OC)cc3)n2)CC1 ZINC000182072501 822081954 /nfs/dbraw/zinc/08/19/54/822081954.db2.gz IFLNFQYBEAOKLG-UHFFFAOYSA-N 2 0 399.535 4.072 20 0 GIADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]Cc2ccc3c(c2)OCCO3)ccc1OC ZINC000182216391 822152036 /nfs/dbraw/zinc/15/20/36/822152036.db2.gz JNRQYFIHEJEANM-QGZVFWFLSA-N 2 0 384.520 4.159 20 0 GIADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]Cc2ccc3c(c2)OCCO3)ccc1OC ZINC000182216406 822152107 /nfs/dbraw/zinc/15/21/07/822152107.db2.gz JNRQYFIHEJEANM-KRWDZBQOSA-N 2 0 384.520 4.159 20 0 GIADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(OC(F)(F)F)c1 ZINC000182264021 822177405 /nfs/dbraw/zinc/17/74/05/822177405.db2.gz IGMFTPOAFXUJBK-BEFAXECRSA-N 2 0 394.437 4.003 20 0 GIADRP COc1ccc([C@H](C)NC2CC[NH+](CC3CC3)CC2)cc1C[NH+]1CCCCC1 ZINC000182507188 822273222 /nfs/dbraw/zinc/27/32/22/822273222.db2.gz KHRQLOPGGXTYRB-IBGZPJMESA-N 2 0 385.596 4.206 20 0 GIADRP COc1ccc([C@@H](C)NC2CC[NH+](CC3CC3)CC2)cc1C[NH+]1CCCCC1 ZINC000182507206 822273233 /nfs/dbraw/zinc/27/32/33/822273233.db2.gz KHRQLOPGGXTYRB-LJQANCHMSA-N 2 0 385.596 4.206 20 0 GIADRP C[N@H+](CCCC[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1)C1CC1 ZINC000453420121 822360367 /nfs/dbraw/zinc/36/03/67/822360367.db2.gz ZEIXPTSRRMXDKU-HXUWFJFHSA-N 2 0 395.385 4.381 20 0 GIADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccc2ccccc2n1 ZINC000178307231 822365817 /nfs/dbraw/zinc/36/58/17/822365817.db2.gz BOYDFVGFTISKNF-SFHVURJKSA-N 2 0 375.516 4.042 20 0 GIADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)ccc1OC ZINC000182839245 822376262 /nfs/dbraw/zinc/37/62/62/822376262.db2.gz RHNZEPAWSNTSNT-PMACEKPBSA-N 3 0 375.601 4.308 20 0 GIADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C[C@@](C)(O)c2cccs2)ccc1OC ZINC000183006485 822410086 /nfs/dbraw/zinc/41/00/86/822410086.db2.gz NPLNYOLWHBVMFS-HRAATJIYSA-N 2 0 376.566 4.157 20 0 GIADRP COc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)cc1C[NH+]1CCCCC1 ZINC000183011160 822411107 /nfs/dbraw/zinc/41/11/07/822411107.db2.gz XMQARUXLAQPRND-VGOFRKELSA-N 2 0 388.577 4.301 20 0 GIADRP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(OCc2nccn2C)cc1 ZINC000183191177 822438706 /nfs/dbraw/zinc/43/87/06/822438706.db2.gz GDXWTIORQFIZDL-SFHLNBCPSA-N 2 0 396.579 4.303 20 0 GIADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]Cc2ccc([S@](C)=O)cc2)ccc1OC ZINC000183320771 822458732 /nfs/dbraw/zinc/45/87/32/822458732.db2.gz JNMGUYFEZDGJFQ-CRYYWNKWSA-N 2 0 388.577 4.125 20 0 GIADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)ccc1OC ZINC000183354990 822462765 /nfs/dbraw/zinc/46/27/65/822462765.db2.gz ZGCWNOPEGHEXJD-UCNVEGJOSA-N 2 0 392.609 4.242 20 0 GIADRP Cc1cccc(-c2noc(C[N@H+](C)CCC3CCN(c4cc[nH+]cc4)CC3)n2)c1 ZINC000179397138 822476846 /nfs/dbraw/zinc/47/68/46/822476846.db2.gz YAHSZKIPGQPEKF-UHFFFAOYSA-N 2 0 391.519 4.179 20 0 GIADRP COc1cc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1F ZINC000179410522 822478849 /nfs/dbraw/zinc/47/88/49/822478849.db2.gz LODWQMFWMOCKOX-KURKYZTESA-N 2 0 386.511 4.294 20 0 GIADRP C[C@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)c1ccc(OCC[NH+](C)C)cc1 ZINC000179455966 822485716 /nfs/dbraw/zinc/48/57/16/822485716.db2.gz DNWQMLIFPHGHGH-KRWDZBQOSA-N 2 0 397.494 4.314 20 0 GIADRP Fc1ccc([C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c2ccccc2)nc1 ZINC000183739626 822519931 /nfs/dbraw/zinc/51/99/31/822519931.db2.gz ZHPGMWVTAJVWRF-HSZRJFAPSA-N 2 0 376.479 4.211 20 0 GIADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](c1ccco1)c1ccc(Br)cc1 ZINC000183863358 822537751 /nfs/dbraw/zinc/53/77/51/822537751.db2.gz UMRJUFOZPNZVEZ-HKUYNNGSSA-N 2 0 395.341 4.078 20 0 GIADRP CC[NH+](CC)Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000047303408 822563429 /nfs/dbraw/zinc/56/34/29/822563429.db2.gz HHYIUENSLUXUJT-UHFFFAOYSA-N 2 0 393.575 4.057 20 0 GIADRP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000048709887 822679163 /nfs/dbraw/zinc/67/91/63/822679163.db2.gz RSPZHSBBNCCUIR-UHFFFAOYSA-N 2 0 382.939 4.494 20 0 GIADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1ccco1 ZINC000455836253 822734266 /nfs/dbraw/zinc/73/42/66/822734266.db2.gz AVAWOKXJQIQUSF-YSSFQJQWSA-N 2 0 384.524 4.079 20 0 GIADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)ccc21 ZINC000455880847 822741664 /nfs/dbraw/zinc/74/16/64/822741664.db2.gz SHMPEVQMOXWSFP-XZOQPEGZSA-N 2 0 392.547 4.194 20 0 GIADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000455891571 822743374 /nfs/dbraw/zinc/74/33/74/822743374.db2.gz BUZPQGDGLCSLRX-PWHSHALESA-N 2 0 398.595 4.354 20 0 GIADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3ccc4c(c3)CC[C@H]4[NH+](C)C)C2)CC1 ZINC000455892915 822743700 /nfs/dbraw/zinc/74/37/00/822743700.db2.gz CAHOZBKPFIGWAX-WMZHIEFXSA-N 2 0 398.595 4.211 20 0 GIADRP Cc1ccc([C@@H](CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)[NH+]2CCCC2)o1 ZINC000455919610 822749464 /nfs/dbraw/zinc/74/94/64/822749464.db2.gz LIAFBLXUWIVDHP-NHCUHLMSSA-N 2 0 396.535 4.096 20 0 GIADRP C[C@@H]1C[C@H](NC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000455939947 822753769 /nfs/dbraw/zinc/75/37/69/822753769.db2.gz UAOZBFDLQCKKIZ-FRGLQRNOSA-N 2 0 392.547 4.020 20 0 GIADRP CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)o1 ZINC000052167181 822791901 /nfs/dbraw/zinc/79/19/01/822791901.db2.gz HDFMZKOJNDKOEN-UHFFFAOYSA-N 2 0 383.536 4.037 20 0 GIADRP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000174598256 822810166 /nfs/dbraw/zinc/81/01/66/822810166.db2.gz LFBQSLCCYFVOKT-IHWFROFDSA-N 2 0 386.971 4.307 20 0 GIADRP C[C@@H]([NH3+])c1ccc(CNC(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)cc1 ZINC000568972735 822866819 /nfs/dbraw/zinc/86/68/19/822866819.db2.gz RMGIWOXDXGMNSG-MRXNPFEDSA-N 2 0 389.503 4.228 20 0 GIADRP Cc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc(C)c1OCc1ccccn1 ZINC000569003225 822868872 /nfs/dbraw/zinc/86/88/72/822868872.db2.gz KCAMPINJHMAIAF-FGZHOGPDSA-N 2 0 379.548 4.099 20 0 GIADRP Cc1ccccc1COc1ccc([C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000186566200 822914421 /nfs/dbraw/zinc/91/44/21/822914421.db2.gz YNHIMQXDHFARSQ-FGZHOGPDSA-N 2 0 395.591 4.251 20 0 GIADRP Cc1ccc(-c2nc3c(s2)[C@H]([NH2+][C@H](C)CCN2CC[NH+](C)CC2)CCC3)cc1 ZINC000186575816 822916198 /nfs/dbraw/zinc/91/61/98/822916198.db2.gz IYOYVPXBVISHHY-UYAOXDASSA-N 2 0 398.620 4.112 20 0 GIADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000186598984 822921203 /nfs/dbraw/zinc/92/12/03/822921203.db2.gz MHILFZPGEOVCCN-RBUKOAKNSA-N 2 0 385.527 4.295 20 0 GIADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(SCC(F)(F)F)cc1 ZINC000186603340 822922081 /nfs/dbraw/zinc/92/20/81/822922081.db2.gz QBZLWHBDUZHPHV-CVEARBPZSA-N 2 0 389.531 4.018 20 0 GIADRP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-c3cccc(Cl)c3)s2)CC12CCOCC2 ZINC000569811059 822971756 /nfs/dbraw/zinc/97/17/56/822971756.db2.gz UOGUPAWUKMRFOQ-MRXNPFEDSA-N 2 0 376.953 4.256 20 0 GIADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)c1cccc(-n2ccnn2)c1 ZINC000569836625 822974304 /nfs/dbraw/zinc/97/43/04/822974304.db2.gz XHTVQZRZWKWBML-UXHICEINSA-N 2 0 389.547 4.493 20 0 GIADRP Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)c1O ZINC000186966790 822988925 /nfs/dbraw/zinc/98/89/25/822988925.db2.gz NLFQWVFSQAKUTH-CQSZACIVSA-N 2 0 377.326 4.376 20 0 GIADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000187125680 823014305 /nfs/dbraw/zinc/01/43/05/823014305.db2.gz LUASUQWNUXATIX-LJQANCHMSA-N 2 0 391.559 4.117 20 0 GIADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000123908740 823550879 /nfs/dbraw/zinc/55/08/79/823550879.db2.gz WSGZYUYMFOWGDW-KRWDZBQOSA-N 2 0 380.536 4.273 20 0 GIADRP CC[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000411224560 823558649 /nfs/dbraw/zinc/55/86/49/823558649.db2.gz LFIPRJDMIDFZCO-UHFFFAOYSA-N 2 0 393.575 4.396 20 0 GIADRP CCC[NH+]1CCC([N@H+](C)CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000411310195 823563961 /nfs/dbraw/zinc/56/39/61/823563961.db2.gz UEIODPSYSXTGGD-HSZRJFAPSA-N 2 0 399.604 4.150 20 0 GIADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2ccccc2Oc2ccccc2)CC1 ZINC000411452363 823576221 /nfs/dbraw/zinc/57/62/21/823576221.db2.gz IQYVFWKUKHQIAA-LJQANCHMSA-N 2 0 395.547 4.119 20 0 GIADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000061070308 823576710 /nfs/dbraw/zinc/57/67/10/823576710.db2.gz RGSXPPAHYJGAGP-UHFFFAOYSA-N 2 0 392.374 4.421 20 0 GIADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000061070116 823576714 /nfs/dbraw/zinc/57/67/14/823576714.db2.gz BXNQBOFKCCZQOC-UHFFFAOYSA-N 2 0 392.374 4.421 20 0 GIADRP CC(CC[NH+]1CCC[C@@H]1C1CCOCC1)CC[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000411507463 823582272 /nfs/dbraw/zinc/58/22/72/823582272.db2.gz ZRDODXMAFWLGCB-DNQXCXABSA-N 2 0 392.628 4.185 20 0 GIADRP C[C@@H]([NH2+]CCC(=O)Nc1cccc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411517681 823583790 /nfs/dbraw/zinc/58/37/90/823583790.db2.gz NHTFBZJIKQFXOP-QUCCMNQESA-N 2 0 379.548 4.411 20 0 GIADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCCc3nc(-c4ccccc4)sc32)CC1 ZINC000124354111 823589663 /nfs/dbraw/zinc/58/96/63/823589663.db2.gz FAYAENGKJMKQDD-FQEVSTJZSA-N 2 0 398.620 4.051 20 0 GIADRP COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000124578879 823607995 /nfs/dbraw/zinc/60/79/95/823607995.db2.gz XZBKWPNVMZULDF-OTWHNJEPSA-N 2 0 398.547 4.164 20 0 GIADRP CC(=O)Nc1cccc([C@H](C)[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c1 ZINC000124680373 823616883 /nfs/dbraw/zinc/61/68/83/823616883.db2.gz WHZNTSNYQOWPPW-QRVBRYPASA-N 2 0 379.548 4.452 20 0 GIADRP Cc1c([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cnn1C(C)C ZINC000191268612 823665591 /nfs/dbraw/zinc/66/55/91/823665591.db2.gz KKLKIMUHFDFHER-DLBZAZTESA-N 2 0 387.547 4.075 20 0 GIADRP COc1cc2c(cc1C[NH2+]CC1CC[NH+](Cc3ccccc3)CC1)O[C@@H](C)C2 ZINC000063551739 823679032 /nfs/dbraw/zinc/67/90/32/823679032.db2.gz GNXAFDUOKVAIPA-SFHVURJKSA-N 2 0 380.532 4.020 20 0 GIADRP c1cc(C[NH+]2CCCCC2)cc(-c2noc([C@@H]3CCC[N@@H+]3C3CCOCC3)n2)c1 ZINC000125498646 823681045 /nfs/dbraw/zinc/68/10/45/823681045.db2.gz MGZJNQYUDLBNAL-NRFANRHFSA-N 2 0 396.535 4.038 20 0 GIADRP COCOc1ccc(OC)cc1C[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000163522301 823718042 /nfs/dbraw/zinc/71/80/42/823718042.db2.gz ZODIKPPGODURPM-UHFFFAOYSA-N 2 0 398.547 4.200 20 0 GIADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2ccc(OC)c(NC(C)=O)c2)c1 ZINC000163563305 823722440 /nfs/dbraw/zinc/72/24/40/823722440.db2.gz KEUPWBRKZRMDSR-QGZVFWFLSA-N 2 0 383.536 4.346 20 0 GIADRP CC[NH+](CC)Cc1cccc(C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)c1 ZINC000163569158 823723237 /nfs/dbraw/zinc/72/32/37/823723237.db2.gz OHKWPKPOGUIQKK-UHFFFAOYSA-N 2 0 391.559 4.451 20 0 GIADRP C[N@H+](CCOc1cccc(C[NH2+][C@@H]2CCCc3ccccc32)c1)C1CCOCC1 ZINC000163970449 823766750 /nfs/dbraw/zinc/76/67/50/823766750.db2.gz CGIRRTKYKGMUTL-RUZDIDTESA-N 2 0 394.559 4.343 20 0 GIADRP Cc1ccc([C@H](C)[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)cc1 ZINC000163972528 823767166 /nfs/dbraw/zinc/76/71/66/823767166.db2.gz IJXJLDAPNUTAQW-FQEVSTJZSA-N 2 0 382.548 4.335 20 0 GIADRP CCCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000461977480 823779468 /nfs/dbraw/zinc/77/94/68/823779468.db2.gz NWWKKWXQKFOXBU-HSZRJFAPSA-N 2 0 385.596 4.010 20 0 GIADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)c1ccc(-n2cncn2)cc1 ZINC000164190326 823784846 /nfs/dbraw/zinc/78/48/46/823784846.db2.gz RFVWVTCYOKPIJH-HXUWFJFHSA-N 2 0 389.547 4.494 20 0 GIADRP Cc1ccc(NC(=O)c2cccc(C[NH+]3CCCCC3)c2)c(OCC[NH+](C)C)c1 ZINC000413497319 823787652 /nfs/dbraw/zinc/78/76/52/823787652.db2.gz WBIZDKUQGUJKBN-UHFFFAOYSA-N 2 0 395.547 4.174 20 0 GIADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C3(c4ccccc4)CC[NH2+]CC3)cc2)C1 ZINC000164575315 823809750 /nfs/dbraw/zinc/80/97/50/823809750.db2.gz CWSSMMOLIKNILQ-FQEVSTJZSA-N 2 0 391.559 4.178 20 0 GIADRP CC[NH+]1CCC(NC[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)CC1 ZINC000462113585 823832364 /nfs/dbraw/zinc/83/23/64/823832364.db2.gz TXZJOQITIGZSBF-FXAWDEMLSA-N 2 0 383.502 4.162 20 0 GIADRP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC1CC[NH+](C)CC1 ZINC000126339898 823843740 /nfs/dbraw/zinc/84/37/40/823843740.db2.gz YZEIQKUIDUCUSI-LBPRGKRZSA-N 2 0 391.865 4.007 20 0 GIADRP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000165335047 823844425 /nfs/dbraw/zinc/84/44/25/823844425.db2.gz XWLPFEQIRJURHB-IRLDBZIGSA-N 2 0 391.559 4.029 20 0 GIADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2-c2ccc(Cn3ccnc3)cc2)[C@H](C)C1 ZINC000165555101 823853735 /nfs/dbraw/zinc/85/37/35/823853735.db2.gz YTFPJJJMTYEKBN-NLFFAJNJSA-N 2 0 388.559 4.418 20 0 GIADRP C[C@H](NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000165981797 823867437 /nfs/dbraw/zinc/86/74/37/823867437.db2.gz VRIRLCPIHQKAQT-UNMCSNQZSA-N 2 0 397.607 4.058 20 0 GIADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000167902117 823898071 /nfs/dbraw/zinc/89/80/71/823898071.db2.gz FXVFFSKSURWXPG-QEEYODRMSA-N 2 0 384.395 4.276 20 0 GIADRP C[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000414176195 823923088 /nfs/dbraw/zinc/92/30/88/823923088.db2.gz HFEGIVJVMIFYMG-UZLBHIALSA-N 2 0 383.467 4.272 20 0 GIADRP CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000126679256 823925287 /nfs/dbraw/zinc/92/52/87/823925287.db2.gz NSLGLTNKWDQKRB-VGSWGCGISA-N 2 0 385.527 4.388 20 0 GIADRP CC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000126679048 823925389 /nfs/dbraw/zinc/92/53/89/823925389.db2.gz NSLGLTNKWDQKRB-HTAPYJJXSA-N 2 0 385.527 4.388 20 0 GIADRP c1csc(C[N@H+]2CCC[C@@H](CNC3CC[NH+](C4CCCCC4)CC3)C2)c1 ZINC000126770789 823946863 /nfs/dbraw/zinc/94/68/63/823946863.db2.gz DAISKHDTAHCFGT-IBGZPJMESA-N 2 0 375.626 4.347 20 0 GIADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000065140433 823949816 /nfs/dbraw/zinc/94/98/16/823949816.db2.gz VUEHYKGJTCBKQA-CVDCTZTESA-N 2 0 379.548 4.094 20 0 GIADRP CC[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)s1 ZINC000414303011 823954063 /nfs/dbraw/zinc/95/40/63/823954063.db2.gz LERCIOJMEZSINJ-QGZVFWFLSA-N 2 0 378.969 4.469 20 0 GIADRP COc1ccc([C@H](NC[C@H]2CC[N@@H+](C3CC3)C2)C(C)C)c(Br)c1 ZINC000575959170 824038415 /nfs/dbraw/zinc/03/84/15/824038415.db2.gz LUOGUQKLAJUFKU-AUUYWEPGSA-N 2 0 381.358 4.229 20 0 GIADRP C[C@H]([NH2+]Cc1cnc(-c2ccc(Br)cc2)s1)[C@@H]1CCC[NH2+]C1 ZINC000414856217 824042675 /nfs/dbraw/zinc/04/26/75/824042675.db2.gz OCORLVSHNHTQDX-GXTWGEPZSA-N 2 0 380.355 4.050 20 0 GIADRP [NH3+]CCC[C@@H](NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000414966605 824055178 /nfs/dbraw/zinc/05/51/78/824055178.db2.gz OSCGGAGFSGIHKE-HSZRJFAPSA-N 2 0 394.563 4.317 20 0 GIADRP Cc1ccc(C[NH+]2CCC3(CCN(c4cc(N(C)C)[nH+]c(C)n4)CC3)CC2)cc1 ZINC001164761391 721042211 /nfs/dbraw/zinc/04/22/11/721042211.db2.gz FXWBRNIFLSAYSA-UHFFFAOYSA-N 2 0 393.579 4.042 20 0 GIADRP c1cc2cccc(C[NH2+]C[C@@H]3C[N@H+](Cc4ccccc4)CC34CCOCC4)c2[nH]1 ZINC000570616326 823062919 /nfs/dbraw/zinc/06/29/19/823062919.db2.gz CDBUWZUTHYOXGL-HSZRJFAPSA-N 2 0 389.543 4.186 20 0 GIADRP CC[C@@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000570743953 823079574 /nfs/dbraw/zinc/07/95/74/823079574.db2.gz VCYMKDFRCDOYOS-RDPSFJRHSA-N 2 0 393.575 4.239 20 0 GIADRP COC[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cccc(C(F)(F)F)c1 ZINC000120934076 823088953 /nfs/dbraw/zinc/08/89/53/823088953.db2.gz QNPMZMGDNPVVCR-LJQANCHMSA-N 2 0 384.417 4.383 20 0 GIADRP Cc1ccccc1NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000056156170 823091200 /nfs/dbraw/zinc/09/12/00/823091200.db2.gz RBWXAPUODYBYAV-AZUAARDMSA-N 2 0 379.548 4.344 20 0 GIADRP C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000121225948 823142584 /nfs/dbraw/zinc/14/25/84/823142584.db2.gz TZNCJEDZZWGSQP-CVDCTZTESA-N 2 0 394.563 4.265 20 0 GIADRP CC[S@](=O)[C@H]1CCC[C@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC000571307929 823163335 /nfs/dbraw/zinc/16/33/35/823163335.db2.gz VCILBDYMBUNPBW-IOVIBIRDSA-N 2 0 376.610 4.099 20 0 GIADRP C[C@@]1(c2ccccc2)CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000187970142 823165385 /nfs/dbraw/zinc/16/53/85/823165385.db2.gz SJIXWSPEAWLBOA-UKILVPOCSA-N 2 0 378.560 4.243 20 0 GIADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC1CCN(c2cc[nH+]cc2)CC1 ZINC000459343885 823166506 /nfs/dbraw/zinc/16/65/06/823166506.db2.gz AIVXKHGFWRAHPL-UHFFFAOYSA-N 2 0 382.577 4.020 20 0 GIADRP Clc1cc(Br)ccc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459387444 823180222 /nfs/dbraw/zinc/18/02/22/823180222.db2.gz JNMNFWMCHOOPPJ-UHFFFAOYSA-N 2 0 380.717 4.256 20 0 GIADRP CC1CC[NH+](Cc2cccc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)c2)CC1 ZINC000459432372 823191120 /nfs/dbraw/zinc/19/11/20/823191120.db2.gz SVVNMFNNTGSMHW-UHFFFAOYSA-N 3 0 378.564 4.072 20 0 GIADRP C[C@@H](COc1ccccc1C(F)(F)F)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459479115 823201164 /nfs/dbraw/zinc/20/11/64/823201164.db2.gz UGJNGPZTPKVRNE-HNNXBMFYSA-N 2 0 379.426 4.126 20 0 GIADRP OC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(Cl)cc1C(F)(F)F ZINC000459524422 823211029 /nfs/dbraw/zinc/21/10/29/823211029.db2.gz KEXRZPUGGIYSNM-SFHVURJKSA-N 2 0 399.844 4.046 20 0 GIADRP FC(F)(F)CN1CCC([NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000121631157 823219297 /nfs/dbraw/zinc/21/92/97/823219297.db2.gz VVPALRFOPQECNZ-UHFFFAOYSA-N 2 0 383.502 4.179 20 0 GIADRP COCc1cc(C[N@@H+]2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000459598705 823227581 /nfs/dbraw/zinc/22/75/81/823227581.db2.gz PZMYDTOAIUWBNN-DEOSSOPVSA-N 2 0 397.563 4.478 20 0 GIADRP COc1ccc2ccccc2c1-c1cc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)on1 ZINC000571754868 823230332 /nfs/dbraw/zinc/23/03/32/823230332.db2.gz ZJVQCNVKFYUDOB-KRWDZBQOSA-N 2 0 391.515 4.467 20 0 GIADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000189040695 823346688 /nfs/dbraw/zinc/34/66/88/823346688.db2.gz PPZVTAGBEIGOLP-UHFFFAOYSA-N 2 0 380.511 4.201 20 0 GIADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000189398223 823408192 /nfs/dbraw/zinc/40/81/92/823408192.db2.gz VRFGHJCTRYUMRO-IBGZPJMESA-N 2 0 398.856 4.215 20 0 GIADRP Cc1cccc2oc(CC[NH2+][C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]34)nc21 ZINC000410356300 823472136 /nfs/dbraw/zinc/47/21/36/823472136.db2.gz BHYISUYSCPTPFU-NJDAHSKKSA-N 2 0 375.516 4.179 20 0 GIADRP CCOC(=O)c1nc(-c2ccccc2)oc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123175112 823474245 /nfs/dbraw/zinc/47/42/45/823474245.db2.gz FMKJCPSDRYKDCP-UHFFFAOYSA-N 2 0 399.535 4.072 20 0 GIADRP C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177509372 823479728 /nfs/dbraw/zinc/47/97/28/823479728.db2.gz RERBDNQHSULWBI-QRVBRYPASA-N 2 0 398.551 4.009 20 0 GIADRP COc1ccc([C@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)cc1Br ZINC000123582364 823523645 /nfs/dbraw/zinc/52/36/45/823523645.db2.gz JCCNXLJQNAKINU-AWEZNQCLSA-N 2 0 377.326 4.370 20 0 GIADRP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1F ZINC000060377482 823521578 /nfs/dbraw/zinc/52/15/78/823521578.db2.gz IVVBUEJEHZUCSL-LJQANCHMSA-N 2 0 397.538 4.305 20 0 GIADRP Cc1cc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c(C)s1 ZINC000180974676 821566703 /nfs/dbraw/zinc/56/67/03/821566703.db2.gz ZAOCAJFDIWOIAU-KRWDZBQOSA-N 2 0 385.577 4.041 20 0 GIADRP Cc1cc2ncc([C@H](C)[NH2+]Cc3ccccc3C[NH+]3CCC(C)CC3)c(C)n2n1 ZINC000181202533 821693959 /nfs/dbraw/zinc/69/39/59/821693959.db2.gz NLMZRLJCYQNEDS-IBGZPJMESA-N 2 0 391.563 4.429 20 0 GIADRP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(OC(F)F)cc1 ZINC000181414777 821813046 /nfs/dbraw/zinc/81/30/46/821813046.db2.gz HLPVPIOODDBLBC-ZCNNSNEGSA-N 2 0 382.495 4.097 20 0 GIADRP COc1ccc(Cl)cc1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000182236993 822160729 /nfs/dbraw/zinc/16/07/29/822160729.db2.gz GGWKYZJSUHTFRM-OXJNMPFZSA-N 2 0 388.939 4.156 20 0 GIADRP Cc1ccc([C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c2ccccc2)cc1 ZINC000182258330 822173005 /nfs/dbraw/zinc/17/30/05/822173005.db2.gz NUEUEVOYZNSDSB-UIOOFZCWSA-N 2 0 386.539 4.441 20 0 GIADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000182259286 822173115 /nfs/dbraw/zinc/17/31/15/822173115.db2.gz SBKBWHMTQCJFKJ-JXFKEZNVSA-N 2 0 391.342 4.337 20 0 GIADRP Cc1cc2cc([C@@H](C)[NH2+]Cc3ccccc3C[N@@H+]3CC[C@H](O)C3)oc2cc1C ZINC000182260771 822174603 /nfs/dbraw/zinc/17/46/03/822174603.db2.gz SDCXJIGWOQACSI-GCJKJVERSA-N 2 0 378.516 4.467 20 0 GIADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]Cc2ccnc(N3CCCC3)c2)ccc1OC ZINC000182314285 822199705 /nfs/dbraw/zinc/19/97/05/822199705.db2.gz QRDKDLKIWVIYDV-LJQANCHMSA-N 2 0 396.579 4.383 20 0 GIADRP COc1cc([C@@H](C)[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)cc(OC)c1OC ZINC000177977690 822266547 /nfs/dbraw/zinc/26/65/47/822266547.db2.gz ZZOUCHVTBKKKLA-QGZVFWFLSA-N 2 0 386.536 4.403 20 0 GIADRP COc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccccc2F)cc1C[NH+]1CCCCC1 ZINC000182537018 822289108 /nfs/dbraw/zinc/28/91/08/822289108.db2.gz XJVCLEMDGFAPMM-VGOFRKELSA-N 2 0 386.511 4.204 20 0 GIADRP COc1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccccc2OC)cc1C[NH+]1CCCCC1 ZINC000182537940 822289715 /nfs/dbraw/zinc/28/97/15/822289715.db2.gz XOUKEQKAWROMNB-PGRDOPGGSA-N 2 0 398.547 4.074 20 0 GIADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2ccc3ccccc3n2)CC1 ZINC000178133512 822328505 /nfs/dbraw/zinc/32/85/05/822328505.db2.gz KAHNEQNMVPCULJ-FQEVSTJZSA-N 2 0 388.559 4.223 20 0 GIADRP O=C1Nc2ccccc2C12CCC([NH2+]C1CC[NH+](CC3CCCC3)CC1)CC2 ZINC000178160130 822337221 /nfs/dbraw/zinc/33/72/21/822337221.db2.gz AQMMFSBHBFJPCP-UHFFFAOYSA-N 2 0 381.564 4.063 20 0 GIADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCSc3c(F)cccc32)CC1 ZINC000178306929 822365622 /nfs/dbraw/zinc/36/56/22/822365622.db2.gz DSHOFFTYIPXTRS-NRFANRHFSA-N 2 0 386.536 4.109 20 0 GIADRP Cc1cc(Br)c(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)s1 ZINC000453584048 822388618 /nfs/dbraw/zinc/38/86/18/822388618.db2.gz GVVNUDXAOOKZRZ-UHFFFAOYSA-N 2 0 383.355 4.049 20 0 GIADRP FC(F)Sc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000182993987 822407331 /nfs/dbraw/zinc/40/73/31/822407331.db2.gz XTEYZYKRWTWTSE-MGPUTAFESA-N 2 0 396.547 4.469 20 0 GIADRP COc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2c(C)nn(C)c2C)cc1C[NH+]1CCCCC1 ZINC000183029644 822414302 /nfs/dbraw/zinc/41/43/02/822414302.db2.gz ILMCVKWLZDUQDW-ZWKOTPCHSA-N 2 0 398.595 4.313 20 0 GIADRP CC(=O)Nc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000183128987 822428154 /nfs/dbraw/zinc/42/81/54/822428154.db2.gz RXMHNGBTBABSCG-OEMFJLHTSA-N 2 0 377.532 4.035 20 0 GIADRP CC(C)c1noc(CCC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000183137051 822429312 /nfs/dbraw/zinc/42/93/12/822429312.db2.gz LKDNXHJQGJJEGL-QHAWAJNXSA-N 2 0 382.552 4.016 20 0 GIADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000183226147 822444192 /nfs/dbraw/zinc/44/41/92/822444192.db2.gz AWJHQQHTNCSFEO-HOTGVXAUSA-N 2 0 385.474 4.277 20 0 GIADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]Cc2cn(C)nc2C(F)(F)F)ccc1OC ZINC000183371152 822465061 /nfs/dbraw/zinc/46/50/61/822465061.db2.gz ZVFOQVAKSJGRNU-CQSZACIVSA-N 2 0 398.473 4.140 20 0 GIADRP COc1ccc([C@H](C)[NH2+]CCCc2c(C)nn(C)c2C)cc1C[NH+]1CCCCC1 ZINC000183479715 822482355 /nfs/dbraw/zinc/48/23/55/822482355.db2.gz PKWXQXMPLHLORH-SFHVURJKSA-N 2 0 398.595 4.315 20 0 GIADRP CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000046670417 822501613 /nfs/dbraw/zinc/50/16/13/822501613.db2.gz ULSGTXQKCNNJDD-UHFFFAOYSA-N 2 0 379.548 4.054 20 0 GIADRP CCN1CC[NH+](CCCC[NH2+][C@H](c2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000180015392 822597105 /nfs/dbraw/zinc/59/71/05/822597105.db2.gz LFTOHGUIHFBIES-FQEVSTJZSA-N 2 0 384.395 4.452 20 0 GIADRP COc1ccc([C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)C(C)C)cc1 ZINC000180097618 822614814 /nfs/dbraw/zinc/61/48/14/822614814.db2.gz FJIBGSRKRSAGCG-DEOSSOPVSA-N 2 0 382.548 4.139 20 0 GIADRP Cc1ccc([C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C2CC2)cc1 ZINC000180179514 822633567 /nfs/dbraw/zinc/63/35/67/822633567.db2.gz TZHHCVXPJDFHOT-DEOSSOPVSA-N 2 0 391.559 4.062 20 0 GIADRP Cn1cc([C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c2cccc(F)c2)cn1 ZINC000180235655 822645392 /nfs/dbraw/zinc/64/53/92/822645392.db2.gz PBUCWJYNMOPODS-DEOSSOPVSA-N 2 0 392.522 4.150 20 0 GIADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)ccc21 ZINC000455880822 822741679 /nfs/dbraw/zinc/74/16/79/822741679.db2.gz SGNMPPKEBPRIMF-RTWAWAEBSA-N 2 0 396.535 4.177 20 0 GIADRP C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cc(Cl)ccc1O ZINC000185360376 822771313 /nfs/dbraw/zinc/77/13/13/822771313.db2.gz LYEXDFCKXYTHRC-LSDHHAIUSA-N 2 0 391.918 4.348 20 0 GIADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000174452665 822791699 /nfs/dbraw/zinc/79/16/99/822791699.db2.gz BZKDRVKJFQADDI-UHFFFAOYSA-N 2 0 386.499 4.387 20 0 GIADRP Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)o1 ZINC000174452629 822791824 /nfs/dbraw/zinc/79/18/24/822791824.db2.gz BZTKTTXXOYCRND-UHFFFAOYSA-N 2 0 390.487 4.493 20 0 GIADRP CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000174526617 822801274 /nfs/dbraw/zinc/80/12/74/822801274.db2.gz NAQNDFWNDSGIKZ-OAQYLSRUSA-N 2 0 386.584 4.399 20 0 GIADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1ccc(Br)cc1O ZINC000185870362 822828695 /nfs/dbraw/zinc/82/86/95/822828695.db2.gz FHRRFRREGUXNDW-CQSZACIVSA-N 2 0 390.325 4.117 20 0 GIADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(-c2ccccc2F)s1 ZINC000186587930 822918116 /nfs/dbraw/zinc/91/81/16/822918116.db2.gz DRSMYMOENUDDBT-IAGOWNOFSA-N 2 0 375.557 4.231 20 0 GIADRP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186591193 822919163 /nfs/dbraw/zinc/91/91/63/822919163.db2.gz HZUOWZGPZNMPMZ-ROUUACIJSA-N 2 0 386.609 4.104 20 0 GIADRP CN(CC[N@H+](C)Cc1ccc(-c2ccccc2Cl)o1)C1CC[NH+](C)CC1 ZINC000569531945 822935371 /nfs/dbraw/zinc/93/53/71/822935371.db2.gz QDCBHEOONYZHAB-UHFFFAOYSA-N 2 0 375.944 4.058 20 0 GIADRP Cc1c(Br)cccc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000570176566 823012444 /nfs/dbraw/zinc/01/24/44/823012444.db2.gz SVSIJISHEUEEPS-ICSRJNTNSA-N 2 0 387.321 4.103 20 0 GIADRP Brc1cccc(N2CC[C@H]([NH2+]C3CC[NH+](C4CCCC4)CC3)C2)c1 ZINC000570433693 823037762 /nfs/dbraw/zinc/03/77/62/823037762.db2.gz ZLLCHNGAGCQOHW-SFHVURJKSA-N 2 0 392.385 4.024 20 0 GIADRP CC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000570470398 823042133 /nfs/dbraw/zinc/04/21/33/823042133.db2.gz HYRDYNJUXKRNHP-DNVCBOLYSA-N 2 0 386.458 4.127 20 0 GIADRP C[C@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000177937837 823548514 /nfs/dbraw/zinc/54/85/14/823548514.db2.gz MHYMIJDTZXNTMJ-XDHUDOTRSA-N 2 0 396.531 4.200 20 0 GIADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1 ZINC000123908993 823550854 /nfs/dbraw/zinc/55/08/54/823550854.db2.gz WSGZYUYMFOWGDW-QGZVFWFLSA-N 2 0 380.536 4.273 20 0 GIADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)c1 ZINC000123922802 823551945 /nfs/dbraw/zinc/55/19/45/823551945.db2.gz NHHITJKVEVWYSW-IBGZPJMESA-N 2 0 392.547 4.302 20 0 GIADRP CCCCN(C)C(=O)C1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411178300 823554676 /nfs/dbraw/zinc/55/46/76/823554676.db2.gz JJUKPPGCJSQXEJ-UHFFFAOYSA-N 2 0 385.596 4.143 20 0 GIADRP CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411221340 823558288 /nfs/dbraw/zinc/55/82/88/823558288.db2.gz MXBYDKJQWXGFMM-HXUWFJFHSA-N 2 0 385.596 4.045 20 0 GIADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@@H]1C ZINC000411303833 823563533 /nfs/dbraw/zinc/56/35/33/823563533.db2.gz HNENUMCDVPQNJU-NZQKXSOJSA-N 2 0 393.575 4.087 20 0 GIADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@@H]1C ZINC000411303835 823563560 /nfs/dbraw/zinc/56/35/60/823563560.db2.gz HNENUMCDVPQNJU-REWPJTCUSA-N 2 0 393.575 4.087 20 0 GIADRP COc1cc2c(cc1C[NH2+]CC1CC[NH+](Cc3cccs3)CC1)O[C@@H](C)C2 ZINC000060952731 823568968 /nfs/dbraw/zinc/56/89/68/823568968.db2.gz JDHVLFMSPLTDIJ-INIZCTEOSA-N 2 0 386.561 4.082 20 0 GIADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1ccc(-n2ccnn2)cc1 ZINC000411487622 823580575 /nfs/dbraw/zinc/58/05/75/823580575.db2.gz WGWXDABWHHECOB-IBGZPJMESA-N 2 0 375.520 4.104 20 0 GIADRP C[C@@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411514755 823583299 /nfs/dbraw/zinc/58/32/99/823583299.db2.gz GRIDNLJFPSAIIK-NVXWUHKLSA-N 2 0 388.943 4.175 20 0 GIADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1Cl ZINC000411553278 823587827 /nfs/dbraw/zinc/58/78/27/823587827.db2.gz QVUPQYZEWFBSEU-XLIONFOSSA-N 2 0 385.939 4.169 20 0 GIADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCCc3nc(-c4ccccc4)sc32)CC1 ZINC000124353884 823589658 /nfs/dbraw/zinc/58/96/58/823589658.db2.gz FAYAENGKJMKQDD-HXUWFJFHSA-N 2 0 398.620 4.051 20 0 GIADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000124514273 823602722 /nfs/dbraw/zinc/60/27/22/823602722.db2.gz CMRBMMWNAMRFFY-ZDUSSCGKSA-N 2 0 397.407 4.012 20 0 GIADRP CCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)s1 ZINC000124574770 823607846 /nfs/dbraw/zinc/60/78/46/823607846.db2.gz CPFHOTLFPLUEKF-ZACQAIPSSA-N 2 0 387.593 4.474 20 0 GIADRP CSc1ccc([C@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)cc1F ZINC000124670876 823615916 /nfs/dbraw/zinc/61/59/16/823615916.db2.gz IMFULZYRLMYERE-KRWDZBQOSA-N 2 0 379.589 4.149 20 0 GIADRP CCCOc1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1OC ZINC000062426757 823635032 /nfs/dbraw/zinc/63/50/32/823635032.db2.gz VFRJRZRPCJWAAX-JOCHJYFZSA-N 2 0 382.548 4.486 20 0 GIADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1 ZINC000062427050 823635241 /nfs/dbraw/zinc/63/52/41/823635241.db2.gz ORJBCQKKFFKVSF-IBGZPJMESA-N 2 0 392.522 4.498 20 0 GIADRP CC[C@H](C)[NH2+][C@H](CNC(=O)c1cccc(C[NH+]2CCCCC2)c1)c1ccco1 ZINC000412328623 823646775 /nfs/dbraw/zinc/64/67/75/823646775.db2.gz CKSMTBIXQYIVIJ-GHTZIAJQSA-N 2 0 383.536 4.125 20 0 GIADRP Cc1c([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cnn1C(C)(C)C ZINC000191146727 823653616 /nfs/dbraw/zinc/65/36/16/823653616.db2.gz HBAPRTKXIGCIDW-CEXWTWQISA-N 2 0 398.595 4.407 20 0 GIADRP Cc1c([C@H](C)[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)cnn1C(C)C ZINC000191214582 823659779 /nfs/dbraw/zinc/65/97/79/823659779.db2.gz IXXLQDNFJKQDJA-FQEVSTJZSA-N 2 0 383.584 4.025 20 0 GIADRP Cc1c([C@H](C)[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cnn1C(C)(C)C ZINC000191224159 823660766 /nfs/dbraw/zinc/66/07/66/823660766.db2.gz SSACIBHJHGAAGI-QRVBRYPASA-N 2 0 398.595 4.407 20 0 GIADRP CCCOc1cccc(C[NH2+]CC2CC[NH+](Cc3ccc(OC)cc3)CC2)c1 ZINC000063319550 823661890 /nfs/dbraw/zinc/66/18/90/823661890.db2.gz MKJKLRCZEDPCIB-UHFFFAOYSA-N 2 0 382.548 4.486 20 0 GIADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1ccc([S@](C)=O)cc1 ZINC000125490632 823680454 /nfs/dbraw/zinc/68/04/54/823680454.db2.gz LAUYFKJULCCWQO-PUAOIOHZSA-N 2 0 376.591 4.048 20 0 GIADRP COCc1cc([C@@H](C)[NH2+]CC2CC[NH+](Cc3cccs3)CC2)ccc1OC ZINC000125494681 823680711 /nfs/dbraw/zinc/68/07/11/823680711.db2.gz CSIMFGIWDDEALT-QGZVFWFLSA-N 2 0 388.577 4.466 20 0 GIADRP Cc1c([C@@H](C)[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)cnn1C(C)C ZINC000191411548 823682159 /nfs/dbraw/zinc/68/21/59/823682159.db2.gz HKXBOQUMPYGBJB-LJQANCHMSA-N 2 0 384.568 4.140 20 0 GIADRP C[NH+]1CCC(CC[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)CC1 ZINC000191510643 823693635 /nfs/dbraw/zinc/69/36/35/823693635.db2.gz XHFBBJYZFMEBKB-HXUWFJFHSA-N 2 0 395.385 4.238 20 0 GIADRP c1cc(C2CC[NH+](CCCC[NH+]3CCC(c4ccncc4)CC3)CC2)ccn1 ZINC000191648949 823723577 /nfs/dbraw/zinc/72/35/77/823723577.db2.gz YIERDKNNQXWKSA-UHFFFAOYSA-N 2 0 378.564 4.316 20 0 GIADRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2ccc(OC)c(NC(C)=O)c2)cc1 ZINC000163571646 823723700 /nfs/dbraw/zinc/72/37/00/823723700.db2.gz VJZOHZBVXXXRCA-QGZVFWFLSA-N 2 0 383.536 4.346 20 0 GIADRP CSC1(C[NH2+][C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)CC[NH+](C)CC1 ZINC000574493016 823747080 /nfs/dbraw/zinc/74/70/80/823747080.db2.gz LKNKMMWOABHKKC-NRFANRHFSA-N 2 0 397.588 4.092 20 0 GIADRP C[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1c1ccc(Cl)cc1)CN1CC[NH+](C)CC1 ZINC000574554107 823764275 /nfs/dbraw/zinc/76/42/75/823764275.db2.gz YFZMGQPIPOWNGD-STZQEDGTSA-N 2 0 378.004 4.229 20 0 GIADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000163954945 823765441 /nfs/dbraw/zinc/76/54/41/823765441.db2.gz LTVJYUYIOMHTFP-KBMIEXCESA-N 2 0 394.559 4.199 20 0 GIADRP C[C@@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1cccc(F)c1 ZINC000163969969 823766686 /nfs/dbraw/zinc/76/66/86/823766686.db2.gz AYPPOXLGYPDGOL-GOSISDBHSA-N 2 0 386.511 4.166 20 0 GIADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000165335162 823844297 /nfs/dbraw/zinc/84/42/97/823844297.db2.gz XWLPFEQIRJURHB-RBBKRZOGSA-N 2 0 391.559 4.029 20 0 GIADRP C[C@@H](C(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413845588 823850284 /nfs/dbraw/zinc/85/02/84/823850284.db2.gz PCQAKEFEVXEZMD-XHSDSOJGSA-N 2 0 393.959 4.013 20 0 GIADRP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000166324118 823875387 /nfs/dbraw/zinc/87/53/87/823875387.db2.gz RQOGNSFAOLBTKN-VAMGGRTRSA-N 2 0 383.502 4.305 20 0 GIADRP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166519897 823879101 /nfs/dbraw/zinc/87/91/01/823879101.db2.gz KRHMFGWQZKMWMB-SCFUHWHPSA-N 2 0 381.383 4.448 20 0 GIADRP Cc1nc(C)c([C@H](C)[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000575007651 823885628 /nfs/dbraw/zinc/88/56/28/823885628.db2.gz JILZHXVVYKZISQ-LAUBAEHRSA-N 2 0 399.604 4.339 20 0 GIADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccc(Br)c4cccnc34)C2)CC1 ZINC000575027287 823892403 /nfs/dbraw/zinc/89/24/03/823892403.db2.gz YNDYDZWBAGUASS-INIZCTEOSA-N 2 0 388.353 4.161 20 0 GIADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000167902009 823898380 /nfs/dbraw/zinc/89/83/80/823898380.db2.gz FXVFFSKSURWXPG-STXHMFSFSA-N 2 0 384.395 4.276 20 0 GIADRP Clc1cccc([C@@H]2CCC[C@H]([NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)C2)c1 ZINC000414079022 823903745 /nfs/dbraw/zinc/90/37/45/823903745.db2.gz BQTPIXSOWRAAPN-JUXOCIIHSA-N 2 0 376.972 4.457 20 0 GIADRP COCCC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1 ZINC000414197375 823926387 /nfs/dbraw/zinc/92/63/87/823926387.db2.gz WIHLDEZCQYYGER-QFBILLFUSA-N 2 0 383.374 4.238 20 0 GIADRP COCCC[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(Br)cc1 ZINC000414197374 823926670 /nfs/dbraw/zinc/92/66/70/823926670.db2.gz WIHLDEZCQYYGER-LPHOPBHVSA-N 2 0 383.374 4.238 20 0 GIADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000414200361 823927716 /nfs/dbraw/zinc/92/77/16/823927716.db2.gz XUFYSKFDHNHZPQ-CMKODMSKSA-N 2 0 378.532 4.156 20 0 GIADRP Cc1nc2c(s1)[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)CCC2 ZINC000126735029 823938405 /nfs/dbraw/zinc/93/84/05/823938405.db2.gz SGOAEWWZMRCVMJ-KBXCAEBGSA-N 2 0 388.556 4.071 20 0 GIADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000414246550 823939583 /nfs/dbraw/zinc/93/95/83/823939583.db2.gz BRZKOJIVPCJPEP-UHFFFAOYSA-N 2 0 378.495 4.205 20 0 GIADRP CC(C)C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccccc1 ZINC000414325815 823958841 /nfs/dbraw/zinc/95/88/41/823958841.db2.gz MQPYQEXUNYQXAI-DEOSSOPVSA-N 2 0 393.575 4.261 20 0 GIADRP CCc1ncc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC000414436277 823985358 /nfs/dbraw/zinc/98/53/58/823985358.db2.gz BZNBEHPFJWGRPR-HUDNXNEVSA-N 2 0 384.955 4.396 20 0 GIADRP O=C(CC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)Nc1ccccc1-c1ccccc1 ZINC000575869280 824016539 /nfs/dbraw/zinc/01/65/39/824016539.db2.gz FBNKGMRCSNFBRY-NRFANRHFSA-N 2 0 377.532 4.004 20 0 GIADRP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2ccc(OC(F)F)c(Br)c2)cc1 ZINC000414814440 824038773 /nfs/dbraw/zinc/03/87/73/824038773.db2.gz VPMQFAPCHZCZRN-LLVKDONJSA-N 2 0 385.252 4.360 20 0 GIADRP CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2C[C@@H]3[NH2+]Cc4ccccc4[C@H]3C2)nc1 ZINC001164427572 718946711 /nfs/dbraw/zinc/94/67/11/718946711.db2.gz FQFSTEJCZVVWOT-XPWALMASSA-N 2 0 376.548 4.094 20 0 GIADRP Cc1cc2[nH]ccc2c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]1 ZINC001165021592 721815429 /nfs/dbraw/zinc/81/54/29/721815429.db2.gz FBCCNKICEGEXNB-WEYGHZABSA-N 2 0 375.520 4.003 20 0 GIADRP C/C(=C/c1ccccc1OC(F)F)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000570612357 823062238 /nfs/dbraw/zinc/06/22/38/823062238.db2.gz YBVIBEILZGNSGJ-VLGSPTGOSA-N 2 0 394.506 4.268 20 0 GIADRP CCCCc1oc2ccccc2c1C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000570727695 823076981 /nfs/dbraw/zinc/07/69/81/823076981.db2.gz FYRPYVGTYCMDCA-UHFFFAOYSA-N 2 0 383.580 4.235 20 0 GIADRP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CCc3cc(Br)ccc32)ccc1F ZINC000120844305 823075398 /nfs/dbraw/zinc/07/53/98/823075398.db2.gz IAPISJJMSPMASE-LJQANCHMSA-N 2 0 377.301 4.427 20 0 GIADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccc(-n2cncn2)cc1 ZINC000121084406 823115426 /nfs/dbraw/zinc/11/54/26/823115426.db2.gz VHBJKJIXQHVJKQ-FQEVSTJZSA-N 2 0 389.547 4.350 20 0 GIADRP CSC1(C[NH2+][C@H](C)c2cc(C)c(Br)s2)CC[NH+](C)CC1 ZINC000571009171 823119489 /nfs/dbraw/zinc/11/94/89/823119489.db2.gz HWNCZXMYEAMFSN-GFCCVEGCSA-N 2 0 377.417 4.297 20 0 GIADRP C[C@H]([NH2+]C[C@H](O)Cc1ccc2ccccc2c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000571136776 823139297 /nfs/dbraw/zinc/13/92/97/823139297.db2.gz DOTBUAPCPMBSEC-YMSRPXOMSA-N 2 0 388.555 4.243 20 0 GIADRP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c2sccc21 ZINC000571137468 823139444 /nfs/dbraw/zinc/13/94/44/823139444.db2.gz QKIIVIZGCRMCGN-PBEJRMEISA-N 2 0 397.588 4.174 20 0 GIADRP Cc1nc2scc(C3CC3)n2c1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000459375939 823176383 /nfs/dbraw/zinc/17/63/83/823176383.db2.gz KXJHEYYHOYXVSL-UHFFFAOYSA-N 2 0 380.561 4.467 20 0 GIADRP COc1ccc(Oc2cc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)ccn2)cc1 ZINC000459380616 823177873 /nfs/dbraw/zinc/17/78/73/823177873.db2.gz BFKXDDCSNQWTTI-UHFFFAOYSA-N 2 0 390.487 4.036 20 0 GIADRP CC[NH+](CC)[C@H](CNC1CC[NH+](C2CC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000459381059 823178314 /nfs/dbraw/zinc/17/83/14/823178314.db2.gz CDHIGUNJFMEFEV-HXUWFJFHSA-N 2 0 383.502 4.305 20 0 GIADRP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000571427861 823181199 /nfs/dbraw/zinc/18/11/99/823181199.db2.gz PYXWPAQAQUQOID-PZUNEJSGSA-N 2 0 394.607 4.250 20 0 GIADRP c1cc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc(C[NH+]2CCCCCC2)c1 ZINC000459392357 823181363 /nfs/dbraw/zinc/18/13/63/823181363.db2.gz SZVZJKVXYKHLKS-UHFFFAOYSA-N 3 0 378.564 4.216 20 0 GIADRP C[C@H](C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)C[NH+]1CCCCC1 ZINC000459396190 823182574 /nfs/dbraw/zinc/18/25/74/823182574.db2.gz VOHPUWCJBVCTHV-LJQANCHMSA-N 2 0 381.568 4.272 20 0 GIADRP Cc1nc2scc(C3CC3)n2c1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000459465691 823197920 /nfs/dbraw/zinc/19/79/20/823197920.db2.gz NPMZEMZFEWUUIF-UHFFFAOYSA-N 2 0 380.561 4.467 20 0 GIADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(Br)cc1F ZINC000459551843 823218434 /nfs/dbraw/zinc/21/84/34/823218434.db2.gz SXQGEMFRQLOVBO-ZDUSSCGKSA-N 2 0 378.289 4.303 20 0 GIADRP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459563746 823221143 /nfs/dbraw/zinc/22/11/43/823221143.db2.gz FBDKXMWMSAWQJH-SFHVURJKSA-N 2 0 390.300 4.229 20 0 GIADRP C[NH+](C)CCC1CC[NH+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000121657490 823224014 /nfs/dbraw/zinc/22/40/14/823224014.db2.gz IEUUAJLHJCUMGO-HSZRJFAPSA-N 2 0 399.604 4.008 20 0 GIADRP Clc1ccc(CC[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000459581293 823224927 /nfs/dbraw/zinc/22/49/27/823224927.db2.gz BUCSVKNVTLHKJH-JOCHJYFZSA-N 2 0 398.978 4.401 20 0 GIADRP CC(C)CCn1nc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c2ccccc21 ZINC000459587627 823225765 /nfs/dbraw/zinc/22/57/65/823225765.db2.gz WQLRPVCJWRNTOH-UHFFFAOYSA-N 2 0 377.536 4.236 20 0 GIADRP COCc1cc(C[N@@H+]2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000459598709 823227477 /nfs/dbraw/zinc/22/74/77/823227477.db2.gz PZMYDTOAIUWBNN-XMMPIXPASA-N 2 0 397.563 4.478 20 0 GIADRP C[C@@H]([NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000121780317 823249628 /nfs/dbraw/zinc/24/96/28/823249628.db2.gz MFSGCQYPWABBDS-QZTJIDSGSA-N 2 0 395.547 4.387 20 0 GIADRP CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)c1 ZINC000409822860 823317052 /nfs/dbraw/zinc/31/70/52/823317052.db2.gz KAFIWEAAFFLLAC-UHFFFAOYSA-N 2 0 397.588 4.330 20 0 GIADRP CC[NH+]1CCC([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccc(C)c2)CC1 ZINC000017313603 818508419 /nfs/dbraw/zinc/50/84/19/818508419.db2.gz GCRFTUXTNZZFSI-UHFFFAOYSA-N 2 0 388.559 4.481 20 0 GIADRP C[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCC2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000122440438 823354788 /nfs/dbraw/zinc/35/47/88/823354788.db2.gz WFUXHGRQZNJOML-GOSISDBHSA-N 2 0 395.547 4.216 20 0 GIADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nc(-c2ccccc2F)no1 ZINC000189148924 823365382 /nfs/dbraw/zinc/36/53/82/823365382.db2.gz XDHZDRILRGCIHS-UHFFFAOYSA-N 2 0 395.482 4.009 20 0 GIADRP C[C@@H](CNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)C[NH+]1CCCC1 ZINC000410012589 823371156 /nfs/dbraw/zinc/37/11/56/823371156.db2.gz CXEWWXNBZDFIFA-IBGZPJMESA-N 2 0 386.584 4.305 20 0 GIADRP C[C@@H]([NH2+][C@@H]1c2ccccc2CC12CCOCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000572652855 823376186 /nfs/dbraw/zinc/37/61/86/823376186.db2.gz PSEFIOHYHXSNDG-NTKDMRAZSA-N 2 0 394.559 4.372 20 0 GIADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000189273106 823384517 /nfs/dbraw/zinc/38/45/17/823384517.db2.gz CAXQVBLCMUMBPL-QPPBQGQZSA-N 2 0 378.560 4.144 20 0 GIADRP CC(C)c1[nH+]c(CNCc2ccc(OCCC[NH+](C)C)cc2)c2ccccn21 ZINC000572846961 823408448 /nfs/dbraw/zinc/40/84/48/823408448.db2.gz NGFKVRGNKXBGIM-UHFFFAOYSA-N 2 0 380.536 4.078 20 0 GIADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000122950916 823438863 /nfs/dbraw/zinc/43/88/63/823438863.db2.gz LOYOKZWBKWXCBP-HNNXBMFYSA-N 2 0 393.453 4.274 20 0 GIADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000026485376 820103659 /nfs/dbraw/zinc/10/36/59/820103659.db2.gz ZVEVOJZNGZWMSI-GHTZIAJQSA-N 2 0 397.588 4.054 20 0 GIADRP Cc1ccc(NC(=O)[C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)cc1F ZINC000028899436 820370194 /nfs/dbraw/zinc/37/01/94/820370194.db2.gz XHQRJFRVYJHACZ-GOSISDBHSA-N 2 0 383.511 4.237 20 0 GIADRP COc1cc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)ccc1OCc1ccncc1 ZINC000030631247 820654222 /nfs/dbraw/zinc/65/42/22/820654222.db2.gz JZDACOLEFMGXGX-UHFFFAOYSA-N 2 0 391.515 4.021 20 0 GIADRP CC(C)[NH+]1CCN(CCC[NH2+]C2(c3cccc(C(F)(F)F)c3)CCC2)CC1 ZINC000189932249 823515308 /nfs/dbraw/zinc/51/53/08/823515308.db2.gz VWBYCPNTEDWRIE-UHFFFAOYSA-N 2 0 383.502 4.090 20 0 GIADRP CC(C)C[NH+]1CCC([NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000177837163 823534175 /nfs/dbraw/zinc/53/41/75/823534175.db2.gz YGDPEQGMUQYQHU-UHFFFAOYSA-N 2 0 381.967 4.154 20 0 GIADRP C[NH+](C)C1CCN(CC[NH2+][C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC000180711805 821410817 /nfs/dbraw/zinc/41/08/17/821410817.db2.gz SMOSLNPBDFAVMQ-JOCHJYFZSA-N 2 0 389.946 4.184 20 0 GIADRP COc1cccc2[nH]cc(CC[NH2+][C@@H](C)c3cccc(OCC[NH+](C)C)c3)c21 ZINC000181331686 821764444 /nfs/dbraw/zinc/76/44/44/821764444.db2.gz ZELSUAVVHDTQEG-KRWDZBQOSA-N 2 0 381.520 4.010 20 0 GIADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccc(OC(F)(F)F)c1 ZINC000181416612 821814281 /nfs/dbraw/zinc/81/42/81/821814281.db2.gz UVSOWZZBPZAJMV-KYNGSXCRSA-N 2 0 386.458 4.004 20 0 GIADRP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000181456466 821834229 /nfs/dbraw/zinc/83/42/29/821834229.db2.gz HZYVEGVBQNISCX-SFHVURJKSA-N 2 0 392.547 4.301 20 0 GIADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H](CC(C)(C)C)c2ccccc2)c1 ZINC000181670475 821935597 /nfs/dbraw/zinc/93/55/97/821935597.db2.gz OBYSNEHARDYMKQ-QFIPXVFZSA-N 2 0 381.564 4.245 20 0 GIADRP COc1cccc2cc([C@@H](C)[NH2+]Cc3ccc(C[NH+]4CCC(O)CC4)cc3)oc21 ZINC000181708138 821953051 /nfs/dbraw/zinc/95/30/51/821953051.db2.gz GICGMCXOHJVNMT-QGZVFWFLSA-N 2 0 394.515 4.249 20 0 GIADRP CC(C)[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccc(Cl)cc1F ZINC000181954617 822044391 /nfs/dbraw/zinc/04/43/91/822044391.db2.gz ONZNEPVMSBMLET-OAQYLSRUSA-N 2 0 390.934 4.113 20 0 GIADRP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc(NC(C)=O)cc3)CC2)cc1 ZINC000182032160 822068535 /nfs/dbraw/zinc/06/85/35/822068535.db2.gz MARKDEOGUWKGCV-GOSISDBHSA-N 2 0 395.547 4.216 20 0 GIADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000182075981 822083415 /nfs/dbraw/zinc/08/34/15/822083415.db2.gz VWPYWUDYUNXUCN-KCGBSUFVSA-N 2 0 377.532 4.491 20 0 GIADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000182243300 822164197 /nfs/dbraw/zinc/16/41/97/822164197.db2.gz PIKBRTBSZCLPOX-OXJNMPFZSA-N 2 0 387.593 4.382 20 0 GIADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(F)c(Cl)c1 ZINC000182248664 822167254 /nfs/dbraw/zinc/16/72/54/822167254.db2.gz MQDYODXHAQGREY-DNVCBOLYSA-N 2 0 376.903 4.287 20 0 GIADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc(C(F)(F)F)c1 ZINC000182268438 822179970 /nfs/dbraw/zinc/17/99/70/822179970.db2.gz TVDKXXPGKKXLKN-YWZLYKJASA-N 2 0 378.438 4.123 20 0 GIADRP c1csc([C@H]2C[C@H]([NH2+][C@@H]3CC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)CCO2)c1 ZINC000453407904 822358620 /nfs/dbraw/zinc/35/86/20/822358620.db2.gz DXLINUBPSODCNR-MLBCHFTJSA-N 2 0 382.573 4.468 20 0 GIADRP C[N@H+](CCCC[NH2+]Cc1ccc(OC(F)F)c(Br)c1)C1CC1 ZINC000453601747 822391242 /nfs/dbraw/zinc/39/12/42/822391242.db2.gz VNBJGUXZYVSCIT-UHFFFAOYSA-N 2 0 377.273 4.015 20 0 GIADRP COc1cccc([C@@H](O)C[NH2+][C@H](C)c2ccc(OC)c(C[NH+]3CCCCC3)c2)c1 ZINC000182944064 822397714 /nfs/dbraw/zinc/39/77/14/822397714.db2.gz UYNVOQPOZTZMEC-JPYJTQIMSA-N 2 0 398.547 4.074 20 0 GIADRP COc1ccc([C@H](C)[NH2+]CCCCn2ccnc2C)cc1C[NH+]1CCCCC1 ZINC000183020503 822412353 /nfs/dbraw/zinc/41/23/53/822412353.db2.gz XBNQYNYVZOTZON-IBGZPJMESA-N 2 0 384.568 4.317 20 0 GIADRP COc1ccc([C@H](C)[NH2+][C@H](C)Cc2c(C)nn(C)c2C)cc1C[NH+]1CCCCC1 ZINC000183029588 822414193 /nfs/dbraw/zinc/41/41/93/822414193.db2.gz ILMCVKWLZDUQDW-MSOLQXFVSA-N 2 0 398.595 4.313 20 0 GIADRP COc1cc([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc(OC)c1OC ZINC000183185277 822437476 /nfs/dbraw/zinc/43/74/76/822437476.db2.gz HKWCPJNUYKKQCL-GVDBMIGSSA-N 2 0 376.541 4.016 20 0 GIADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)c2ccc(Cl)nc2)CC1 ZINC000179121743 822440541 /nfs/dbraw/zinc/44/05/41/822440541.db2.gz WEQGBJUAIYSVAS-HZPDHXFCSA-N 2 0 390.934 4.428 20 0 GIADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CC2(SC)CCOCC2)ccc1OC ZINC000183304284 822456020 /nfs/dbraw/zinc/45/60/20/822456020.db2.gz ULRFMPCLDWZFJO-KRWDZBQOSA-N 2 0 380.598 4.100 20 0 GIADRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]Cc2ccc([S@@](C)=O)cc2)ccc1OC ZINC000183320818 822458724 /nfs/dbraw/zinc/45/87/24/822458724.db2.gz JNMGUYFEZDGJFQ-CBZJRKILSA-N 2 0 388.577 4.125 20 0 GIADRP COc1ccc([C@@H](C)[NH2+]CCCc2c(C)nn(C)c2C)cc1C[NH+]1CCCCC1 ZINC000183479731 822482345 /nfs/dbraw/zinc/48/23/45/822482345.db2.gz PKWXQXMPLHLORH-GOSISDBHSA-N 2 0 398.595 4.315 20 0 GIADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)ccn1 ZINC000179511216 822493641 /nfs/dbraw/zinc/49/36/41/822493641.db2.gz ZWWKRUWICFEFPN-QGZVFWFLSA-N 2 0 377.941 4.002 20 0 GIADRP CC[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cccc(Br)c1 ZINC000179511574 822493920 /nfs/dbraw/zinc/49/39/20/822493920.db2.gz YZWBROMNCNKRKU-SFHVURJKSA-N 2 0 392.341 4.025 20 0 GIADRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)c3cccnc23)[C@H](C)C1 ZINC000180194715 822636709 /nfs/dbraw/zinc/63/67/09/822636709.db2.gz JQTPETZACMYOSH-KDOFPFPSSA-N 2 0 376.342 4.159 20 0 GIADRP COc1ccccc1[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)C1CCCC1 ZINC000180210604 822640068 /nfs/dbraw/zinc/64/00/68/822640068.db2.gz NYGATGGCMPEQED-QHCPKHFHSA-N 2 0 383.536 4.052 20 0 GIADRP O=C(c1ccc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1)N1CCCC1 ZINC000048563289 822672655 /nfs/dbraw/zinc/67/26/55/822672655.db2.gz XCABXYWVKFIKHU-UHFFFAOYSA-N 2 0 383.580 4.011 20 0 GIADRP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000180415753 822677841 /nfs/dbraw/zinc/67/78/41/822677841.db2.gz AQXBOWZHBKQBHA-AWEZNQCLSA-N 2 0 396.373 4.019 20 0 GIADRP CC[NH+](CC)[C@@H](CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000184708234 822680194 /nfs/dbraw/zinc/68/01/94/822680194.db2.gz MFPBQUKSVUVWBC-NRFANRHFSA-N 2 0 397.563 4.081 20 0 GIADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N[C@@H](C[NH+]3CCCC3)c3ccccc3)ccc21 ZINC000455899047 822744711 /nfs/dbraw/zinc/74/47/11/822744711.db2.gz FIGMIYFFNQXPHL-GOTSBHOMSA-N 2 0 392.547 4.194 20 0 GIADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N[C@H](C[NH+]3CCCC3)c3ccccc3)ccc21 ZINC000455899050 822744719 /nfs/dbraw/zinc/74/47/19/822744719.db2.gz FIGMIYFFNQXPHL-PKTZIBPZSA-N 2 0 392.547 4.194 20 0 GIADRP C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)c1cc(Cl)ccc1O ZINC000185360396 822771279 /nfs/dbraw/zinc/77/12/79/822771279.db2.gz LYEXDFCKXYTHRC-HUUCEWRRSA-N 2 0 391.918 4.348 20 0 GIADRP CCCC[N@H+](C)CC1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000052209703 822793132 /nfs/dbraw/zinc/79/31/32/822793132.db2.gz PDSDRWUHGCEQSC-UHFFFAOYSA-N 2 0 376.570 4.175 20 0 GIADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000174541400 822803104 /nfs/dbraw/zinc/80/31/04/822803104.db2.gz MOZCNEYDCSXWMD-UHFFFAOYSA-N 2 0 393.531 4.218 20 0 GIADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000052816814 822811585 /nfs/dbraw/zinc/81/15/85/822811585.db2.gz UPNAYSPWQGUATJ-OAHLLOKOSA-N 2 0 391.918 4.438 20 0 GIADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc(-c3ccccc3Cl)o2)CC1 ZINC000185893317 822830751 /nfs/dbraw/zinc/83/07/51/822830751.db2.gz BADDAVBJIYZUBF-UHFFFAOYSA-N 2 0 375.944 4.106 20 0 GIADRP CCn1c2ccccc2c2cc(C[N@@H+]3C[C@H](C[NH3+])C4(C3)CCOCC4)ccc21 ZINC000569123724 822881521 /nfs/dbraw/zinc/88/15/21/822881521.db2.gz WCLYASYYCUOXMC-IBGZPJMESA-N 2 0 377.532 4.002 20 0 GIADRP C[NH+](C)Cc1cccc(NC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000569175160 822888806 /nfs/dbraw/zinc/88/88/06/822888806.db2.gz DKFYRLAFSYRFIY-JOCHJYFZSA-N 2 0 394.563 4.172 20 0 GIADRP CCCOC[C@H](Cc1cccc(Br)c1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000186503286 822905867 /nfs/dbraw/zinc/90/58/67/822905867.db2.gz VFQUSOPRFQCPAS-HSALFYBXSA-N 2 0 395.385 4.003 20 0 GIADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000186564306 822914000 /nfs/dbraw/zinc/91/40/00/822914000.db2.gz OILDWWJIHNWYGN-JSGCOSHPSA-N 2 0 376.397 4.048 20 0 GIADRP Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@H](C)CCN2CC[NH+](C)CC2)CCC3)cc1 ZINC000186575834 822916115 /nfs/dbraw/zinc/91/61/15/822916115.db2.gz IYOYVPXBVISHHY-QUCCMNQESA-N 2 0 398.620 4.112 20 0 GIADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000186598947 822921219 /nfs/dbraw/zinc/92/12/19/822921219.db2.gz MHILFZPGEOVCCN-OALUTQOASA-N 2 0 385.527 4.295 20 0 GIADRP Cc1cc([C@@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c2cccc(Cl)c2)c(C)s1 ZINC000570205590 823015156 /nfs/dbraw/zinc/01/51/56/823015156.db2.gz JYXHXOIOMJMAQQ-VFNWGFHPSA-N 2 0 392.012 4.333 20 0 GIADRP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000570470395 823042196 /nfs/dbraw/zinc/04/21/96/823042196.db2.gz HYRDYNJUXKRNHP-BEFAXECRSA-N 2 0 386.458 4.127 20 0 GIADRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2Cl)c1 ZINC000123956868 823555288 /nfs/dbraw/zinc/55/52/88/823555288.db2.gz WSSJDRSUVZPVFA-MRXNPFEDSA-N 2 0 383.927 4.223 20 0 GIADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411199589 823556770 /nfs/dbraw/zinc/55/67/70/823556770.db2.gz ZYNWZNIZPBONOR-UHFFFAOYSA-N 2 0 391.559 4.067 20 0 GIADRP CCC[NH+]1CCC([N@H+](C)CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000411310197 823564024 /nfs/dbraw/zinc/56/40/24/823564024.db2.gz UEIODPSYSXTGGD-QHCPKHFHSA-N 2 0 399.604 4.150 20 0 GIADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2ccccc2Br)cc1 ZINC000061052217 823575593 /nfs/dbraw/zinc/57/55/93/823575593.db2.gz UHECHRSACIKQAH-UHFFFAOYSA-N 2 0 391.353 4.460 20 0 GIADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2ccccc2Oc2ccccc2)CC1 ZINC000411452360 823576269 /nfs/dbraw/zinc/57/62/69/823576269.db2.gz IQYVFWKUKHQIAA-IBGZPJMESA-N 2 0 395.547 4.119 20 0 GIADRP CC[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1cccc(Cl)c1F ZINC000461096998 823576307 /nfs/dbraw/zinc/57/63/07/823576307.db2.gz HSYYPKBSZIVXQZ-GOSISDBHSA-N 2 0 397.966 4.147 20 0 GIADRP C[C@@H]([NH2+]CCC(=O)Nc1cccc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411517682 823583636 /nfs/dbraw/zinc/58/36/36/823583636.db2.gz NHTFBZJIKQFXOP-UYAOXDASSA-N 2 0 379.548 4.411 20 0 GIADRP CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000124578421 823607968 /nfs/dbraw/zinc/60/79/68/823607968.db2.gz XZOVCNXKIRCUKX-FHWLQOOXSA-N 2 0 395.547 4.105 20 0 GIADRP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000124646452 823613776 /nfs/dbraw/zinc/61/37/76/823613776.db2.gz AQRRDLHSTALKBU-QGZVFWFLSA-N 2 0 378.630 4.176 20 0 GIADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412116307 823627413 /nfs/dbraw/zinc/62/74/13/823627413.db2.gz KHSYJXWFDXJKCF-FYYLOGMGSA-N 2 0 397.607 4.399 20 0 GIADRP Cc1c([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1C(C)C ZINC000191224054 823660781 /nfs/dbraw/zinc/66/07/81/823660781.db2.gz YFBGKSFRLNMZGD-OTWHNJEPSA-N 2 0 384.568 4.232 20 0 GIADRP COCCC[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000125347301 823669682 /nfs/dbraw/zinc/66/96/82/823669682.db2.gz HDMOZPQLNLKXRM-LJQANCHMSA-N 2 0 383.374 4.238 20 0 GIADRP CC(C)[NH+]1CCN(CCC[N@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)CC1 ZINC000191462104 823687959 /nfs/dbraw/zinc/68/79/59/823687959.db2.gz ODZGVDWVIMBGFN-RUZDIDTESA-N 2 0 377.576 4.050 20 0 GIADRP CCc1cc(NCc2ccccc2C[NH+]2CCC(O)CC2)c2ccccc2[nH+]1 ZINC000125620434 823690620 /nfs/dbraw/zinc/69/06/20/823690620.db2.gz AXWFATWMRADKDF-UHFFFAOYSA-N 2 0 375.516 4.366 20 0 GIADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000191522256 823694967 /nfs/dbraw/zinc/69/49/67/823694967.db2.gz LEHBSXFJDIQVLV-XUVXKRRUSA-N 2 0 395.385 4.379 20 0 GIADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000125789631 823711221 /nfs/dbraw/zinc/71/12/21/823711221.db2.gz XYZWTBPROJUIFC-HOTGVXAUSA-N 2 0 385.474 4.133 20 0 GIADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)c1 ZINC000163539169 823718933 /nfs/dbraw/zinc/71/89/33/823718933.db2.gz KSTHDPPBVDIXQO-INIZCTEOSA-N 2 0 388.943 4.084 20 0 GIADRP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CCC(C)C)CC2)cc1NC(C)=O ZINC000163592361 823726201 /nfs/dbraw/zinc/72/62/01/823726201.db2.gz HMNXBRLREUSBQS-QGZVFWFLSA-N 2 0 375.557 4.062 20 0 GIADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(-n2cncn2)cc1 ZINC000163948897 823764941 /nfs/dbraw/zinc/76/49/41/823764941.db2.gz USOWAYBFWZGKAZ-LJQANCHMSA-N 2 0 375.520 4.104 20 0 GIADRP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000126016095 823766632 /nfs/dbraw/zinc/76/66/32/823766632.db2.gz CWCFIWSJPCPCCC-UTKZUKDTSA-N 2 0 394.625 4.420 20 0 GIADRP C[C@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1cccc(F)c1 ZINC000163969881 823766832 /nfs/dbraw/zinc/76/68/32/823766832.db2.gz AYPPOXLGYPDGOL-SFHVURJKSA-N 2 0 386.511 4.166 20 0 GIADRP COc1cc([C@@H](C)[NH2+][C@@H](C)C2CC[NH+](C)CC2)ccc1OCc1ccncc1 ZINC000164070282 823775206 /nfs/dbraw/zinc/77/52/06/823775206.db2.gz OVVVJONYYNDHGD-ZWKOTPCHSA-N 2 0 383.536 4.050 20 0 GIADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1sc(-c2ccccc2F)nc1C ZINC000165951441 823866920 /nfs/dbraw/zinc/86/69/20/823866920.db2.gz ZGAAOVIESHAUCD-ZBFHGGJFSA-N 2 0 379.545 4.265 20 0 GIADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000414087765 823906591 /nfs/dbraw/zinc/90/65/91/823906591.db2.gz IQMKFPNHNACWAH-KVJIRVJXSA-N 2 0 376.972 4.334 20 0 GIADRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000414172231 823922601 /nfs/dbraw/zinc/92/26/01/823922601.db2.gz DNHOFFKPFXAEKV-OXQOHEQNSA-N 2 0 395.385 4.238 20 0 GIADRP CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)cc1 ZINC000126763834 823945158 /nfs/dbraw/zinc/94/51/58/823945158.db2.gz XOSSGAJMVZPNMK-QZTJIDSGSA-N 2 0 385.527 4.388 20 0 GIADRP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000414297608 823953479 /nfs/dbraw/zinc/95/34/79/823953479.db2.gz GIRRUXUEOJKKAL-XZOQPEGZSA-N 2 0 393.575 4.033 20 0 GIADRP Cc1cnccc1OC1CCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000575331830 823957096 /nfs/dbraw/zinc/95/70/96/823957096.db2.gz WCTIPNSXEAWAQW-OAQYLSRUSA-N 2 0 394.519 4.014 20 0 GIADRP CCC[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)c1ccsc1 ZINC000414331729 823959941 /nfs/dbraw/zinc/95/99/41/823959941.db2.gz CZRBDHIXOJNTKP-NRFANRHFSA-N 2 0 385.577 4.076 20 0 GIADRP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)cc1 ZINC000414807242 824037771 /nfs/dbraw/zinc/03/77/71/824037771.db2.gz CJQZSGPIDVAASS-QGZVFWFLSA-N 2 0 375.520 4.370 20 0 GIADRP C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414821660 824039553 /nfs/dbraw/zinc/03/95/53/824039553.db2.gz BJLZXVHHONLCOS-LBKOMDTGSA-N 2 0 380.576 4.490 20 0 GIADRP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000414819851 824039576 /nfs/dbraw/zinc/03/95/76/824039576.db2.gz ZUIGHKVNKAXVPT-ZIAGYGMSSA-N 2 0 395.425 4.112 20 0 GIADRP Cc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc(C)c1OCc1ccccn1 ZINC000576028616 824053428 /nfs/dbraw/zinc/05/34/28/824053428.db2.gz MZJBLERIZPVTPP-AIZNXBIQSA-N 2 0 379.548 4.334 20 0 GIADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC4(C=Cc5ccccc54)CC3)c2)CC1 ZINC001164419873 718908921 /nfs/dbraw/zinc/90/89/21/718908921.db2.gz CZEZJFRQIPDSIL-UHFFFAOYSA-N 2 0 375.516 4.120 20 0 GIADRP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@]3(C[NH2+]C[C@H]3c3ccccc3)C2)nc1 ZINC001164627496 719049155 /nfs/dbraw/zinc/04/91/55/719049155.db2.gz VKULXEOAEPNDCW-ARNLJNQMSA-N 2 0 390.575 4.212 20 0 GIADRP c1cc(-c2ccc3c(C4CN(c5ncccc5C[NH+]5CCCC5)C4)[nH+]cn3c2)co1 ZINC001165014984 721768455 /nfs/dbraw/zinc/76/84/55/721768455.db2.gz LAYOORFQIBMQSQ-UHFFFAOYSA-N 2 0 399.498 4.189 20 0 GIADRP CC(C)Oc1cc[nH+]c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165026163 721815464 /nfs/dbraw/zinc/81/54/64/721815464.db2.gz PIXMMAHZJFDBKN-VLCRHTCISA-N 2 0 380.536 4.001 20 0 GIADRP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc5[nH]ccc5c(C)[nH+]4)CC3)C2)cc1 ZINC001164939625 721929793 /nfs/dbraw/zinc/92/97/93/721929793.db2.gz NGFMCRQFUBMNBM-UHFFFAOYSA-N 2 0 390.531 4.051 20 0 GIADRP C[N@H+](Cc1ccc(N2CCC[C@@]3(CC[NH+]3Cc3cccc(F)c3)C2)nc1)C1CC1 ZINC001164995107 722209649 /nfs/dbraw/zinc/20/96/49/722209649.db2.gz LDSKHGLSQKFSJL-XMMPIXPASA-N 2 0 394.538 4.060 20 0 GIADRP COc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(-c2ccccc2)cc1OC ZINC000570515644 823048846 /nfs/dbraw/zinc/04/88/46/823048846.db2.gz MEXZRRDKKAHFTK-WOJBJXKFSA-N 2 0 380.532 4.192 20 0 GIADRP NC1(C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CC[NH+](Cc2ccccc2)CC1 ZINC000570624629 823064020 /nfs/dbraw/zinc/06/40/20/823064020.db2.gz RAZDHRDDSOKLDP-HSZRJFAPSA-N 2 0 388.559 4.128 20 0 GIADRP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000120847642 823075945 /nfs/dbraw/zinc/07/59/45/823075945.db2.gz UYJGIHLVVAKWPI-HNNXBMFYSA-N 2 0 384.499 4.022 20 0 GIADRP C[C@H]([NH2+]Cc1ccccc1Br)c1ccc(OCC[NH+](C)C)cc1 ZINC000120934545 823089136 /nfs/dbraw/zinc/08/91/36/823089136.db2.gz CENPSXPLMTWLGY-HNNXBMFYSA-N 2 0 377.326 4.240 20 0 GIADRP C[C@@H]([NH2+]Cc1ccccc1Br)c1cccc(OCC[NH+](C)C)c1 ZINC000120938410 823089813 /nfs/dbraw/zinc/08/98/13/823089813.db2.gz IHHZUHOXYGBAIR-OAHLLOKOSA-N 2 0 377.326 4.240 20 0 GIADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3=CCN(C(=O)OC(C)(C)C)CC3)CC2)C1 ZINC000187749574 823124991 /nfs/dbraw/zinc/12/49/91/823124991.db2.gz KYTVCJWEHLCVDU-RXVVDRJESA-N 2 0 391.600 4.186 20 0 GIADRP C[C@H]([NH2+]C[C@H](O)Cc1ccc2ccccc2c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000571136773 823139332 /nfs/dbraw/zinc/13/93/32/823139332.db2.gz DOTBUAPCPMBSEC-GKBBYZSKSA-N 2 0 388.555 4.243 20 0 GIADRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)c1 ZINC000459392668 823181751 /nfs/dbraw/zinc/18/17/51/823181751.db2.gz LZBWLRHXHJRTBU-FQEVSTJZSA-N 2 0 381.564 4.042 20 0 GIADRP CC(C)(C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cccc(Br)c1 ZINC000459407134 823186086 /nfs/dbraw/zinc/18/60/86/823186086.db2.gz VNVYULCBJFUMNW-UHFFFAOYSA-N 2 0 388.353 4.380 20 0 GIADRP c1ccc2[nH]c(-c3ccc(C[NH2+]C4CCN(c5cc[nH+]cc5)CC4)cc3)nc2c1 ZINC000459423138 823189533 /nfs/dbraw/zinc/18/95/33/823189533.db2.gz YYBDOCBYCFCUHD-UHFFFAOYSA-N 2 0 383.499 4.384 20 0 GIADRP O=C1CC[C@H](C[N@@H+]2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)CCN1 ZINC000459517893 823209869 /nfs/dbraw/zinc/20/98/69/823209869.db2.gz GDHGNIFGKOOXEH-LADGPHEKSA-N 2 0 397.607 4.060 20 0 GIADRP C[C@@H]([NH2+]C/C=C\C[NH2+][C@@H](C)c1nc2c(s1)CCC2)c1nc2c(s1)CCC2 ZINC000459634773 823234256 /nfs/dbraw/zinc/23/42/56/823234256.db2.gz RXXMZBOKTBUWOU-LQOBQMSGSA-N 2 0 388.606 4.135 20 0 GIADRP C[C@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000121779851 823249226 /nfs/dbraw/zinc/24/92/26/823249226.db2.gz MFSGCQYPWABBDS-ROUUACIJSA-N 2 0 395.547 4.387 20 0 GIADRP C[C@@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000121818254 823257176 /nfs/dbraw/zinc/25/71/76/823257176.db2.gz MHBFKONANBAMBD-QZTJIDSGSA-N 2 0 395.547 4.387 20 0 GIADRP COCC[N@H+](C)CCCC1CC[NH+](Cc2coc(-c3cccc(F)c3)n2)CC1 ZINC000122135886 823311533 /nfs/dbraw/zinc/31/15/33/823311533.db2.gz ZBFXFEDDNMPJTM-UHFFFAOYSA-N 2 0 389.515 4.051 20 0 GIADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)c1 ZINC000122305633 823335491 /nfs/dbraw/zinc/33/54/91/823335491.db2.gz XPZQRPYAYQRMTR-INIZCTEOSA-N 2 0 378.463 4.388 20 0 GIADRP C[C@@H]([NH2+][C@H]1c2ccccc2CC12CCOCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000572652854 823375925 /nfs/dbraw/zinc/37/59/25/823375925.db2.gz PSEFIOHYHXSNDG-DVECYGJZSA-N 2 0 394.559 4.372 20 0 GIADRP Cc1ccc2cc(C[NH2+]Cc3ccc(C[NH+]4C[C@@H](C)O[C@H](C)C4)cc3)ccc2n1 ZINC000189242687 823380616 /nfs/dbraw/zinc/38/06/16/823380616.db2.gz VSIROSOXYYDRHM-WOJBJXKFSA-N 2 0 389.543 4.442 20 0 GIADRP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000122722818 823400658 /nfs/dbraw/zinc/40/06/58/823400658.db2.gz LGFKJRXODYWIMC-JKSUJKDBSA-N 2 0 385.474 4.277 20 0 GIADRP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(Br)cc1 ZINC000177269901 823416039 /nfs/dbraw/zinc/41/60/39/823416039.db2.gz XUFBMWXLMYBDMO-OAHLLOKOSA-N 2 0 377.326 4.240 20 0 GIADRP COc1cccc([C@@H](C)[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c1 ZINC000177288236 823422306 /nfs/dbraw/zinc/42/23/06/823422306.db2.gz QYXIFFKWVNBEKN-LJQANCHMSA-N 2 0 398.547 4.036 20 0 GIADRP COCCOCc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000573010468 823433072 /nfs/dbraw/zinc/43/30/72/823433072.db2.gz CGNVKCGFNDCSCM-QILAJZQNSA-N 2 0 394.559 4.135 20 0 GIADRP c1ccc(-c2noc([C@@H](c3ccccc3)[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000573091679 823446317 /nfs/dbraw/zinc/44/63/17/823446317.db2.gz LASZVGUQRZZRNB-FCHUYYIVSA-N 2 0 388.515 4.148 20 0 GIADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CSc2ccc(Br)cc21 ZINC000573082247 823445287 /nfs/dbraw/zinc/44/52/87/823445287.db2.gz BNYHBUOVSCHMDA-BZNIZROVSA-N 2 0 378.339 4.109 20 0 GIADRP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000177370334 823447419 /nfs/dbraw/zinc/44/74/19/823447419.db2.gz XHEZAUNVBHRBIW-IBGZPJMESA-N 2 0 391.515 4.419 20 0 GIADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000123012328 823447873 /nfs/dbraw/zinc/44/78/73/823447873.db2.gz ULDMDSLRVZJPEI-KRWDZBQOSA-N 2 0 377.532 4.363 20 0 GIADRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1cccc(N2CCCC2=O)c1 ZINC000123037950 823451420 /nfs/dbraw/zinc/45/14/20/823451420.db2.gz YKPXSKNERYFYCV-IBGZPJMESA-N 2 0 377.532 4.260 20 0 GIADRP C[C@@H]([NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000026368991 820091039 /nfs/dbraw/zinc/09/10/39/820091039.db2.gz MIJQWICDYADBFQ-MSOLQXFVSA-N 2 0 399.966 4.160 20 0 GIADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000026984885 820173420 /nfs/dbraw/zinc/17/34/20/820173420.db2.gz IGLOIXWKKKUKIH-GOSISDBHSA-N 2 0 390.531 4.193 20 0 GIADRP CC(C)[C@H]([NH2+][C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000027450698 820246183 /nfs/dbraw/zinc/24/61/83/820246183.db2.gz NLFVMYWCRDGPFV-YKSBVNFPSA-N 2 0 393.575 4.143 20 0 GIADRP Cc1cccc2oc(CC[NH2+][C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]34)nc21 ZINC000410356303 823472342 /nfs/dbraw/zinc/47/23/42/823472342.db2.gz BHYISUYSCPTPFU-QHAWAJNXSA-N 2 0 375.516 4.179 20 0 GIADRP Cc1ccc(C)c(NC(=O)[C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)c1 ZINC000028899275 820369438 /nfs/dbraw/zinc/36/94/38/820369438.db2.gz OPOMZMUDLXGBNP-FQEVSTJZSA-N 2 0 379.548 4.406 20 0 GIADRP C[NH+](C)CCCC1CC[NH+](CCC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000123175838 823474260 /nfs/dbraw/zinc/47/42/60/823474260.db2.gz GENAOWQWLYHWOH-UHFFFAOYSA-N 2 0 385.474 4.088 20 0 GIADRP Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000030907127 820706967 /nfs/dbraw/zinc/70/69/67/820706967.db2.gz CBBDWXBHLXBSDI-SFHVURJKSA-N 2 0 390.506 4.252 20 0 GIADRP Cc1cc(C)c(NC(=O)[C@H](C)N2CCC(CCC[NH+](C)C)CC2)c(Cl)c1 ZINC000123629449 823527423 /nfs/dbraw/zinc/52/74/23/823527423.db2.gz YPHROGCIXANHDF-KRWDZBQOSA-N 2 0 379.976 4.338 20 0 GIADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(Cl)cc1Cl ZINC000180645249 821380352 /nfs/dbraw/zinc/38/03/52/821380352.db2.gz WUZQDVFMENIZMI-KSSFIOAISA-N 2 0 379.331 4.411 20 0 GIADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@H]2CCCCc3ccccc32)cc1 ZINC000180974410 821566632 /nfs/dbraw/zinc/56/66/32/821566632.db2.gz XHCCJRJBDBNZDG-DEOSSOPVSA-N 2 0 391.559 4.070 20 0 GIADRP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1cc2cc(Cl)ccc2o1 ZINC000181670337 821935565 /nfs/dbraw/zinc/93/55/65/821935565.db2.gz WIYXDFTUUVMSJI-OAHLLOKOSA-N 2 0 399.922 4.228 20 0 GIADRP CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000181930576 822038870 /nfs/dbraw/zinc/03/88/70/822038870.db2.gz MYKRPGMOSHQRPG-OTWHNJEPSA-N 2 0 395.547 4.105 20 0 GIADRP CC(C)[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(F)c(F)c1 ZINC000182109393 822097672 /nfs/dbraw/zinc/09/76/72/822097672.db2.gz FJYJHDRYIKQKFP-QHCPKHFHSA-N 2 0 388.502 4.408 20 0 GIADRP COc1ccc([C@H](C)[NH2+]CCCn2nc(C)cc2C)cc1C[NH+]1CCCCC1 ZINC000182220593 822153036 /nfs/dbraw/zinc/15/30/36/822153036.db2.gz RMBCLZXLFCXVMW-FQEVSTJZSA-N 2 0 384.568 4.235 20 0 GIADRP CSc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cc1F ZINC000182240829 822162517 /nfs/dbraw/zinc/16/25/17/822162517.db2.gz XPJVBDWZJNUTSV-OXQOHEQNSA-N 2 0 388.552 4.355 20 0 GIADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCSc3ccc(Cl)cc32)C1 ZINC000182262481 822176135 /nfs/dbraw/zinc/17/61/35/822176135.db2.gz JKJAVRGBPKBFEN-ICSRJNTNSA-N 2 0 388.964 4.233 20 0 GIADRP COc1ccc([C@@H](C)[NH2+]Cc2ccc(NC(N)=O)cc2)cc1C[NH+]1CCCCC1 ZINC000182311959 822199031 /nfs/dbraw/zinc/19/90/31/822199031.db2.gz AWTJYCHERCFVPT-QGZVFWFLSA-N 2 0 396.535 4.023 20 0 GIADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCCc3cc(SC(F)F)ccc32)CC1 ZINC000182410034 822233116 /nfs/dbraw/zinc/23/31/16/822233116.db2.gz DHFHXTQLMDBNBL-FQEVSTJZSA-N 2 0 397.579 4.386 20 0 GIADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCN(c2ccccc2)CC1)c1ccoc1 ZINC000177985042 822269814 /nfs/dbraw/zinc/26/98/14/822269814.db2.gz WNNLVHGWXLFGEU-HXUWFJFHSA-N 2 0 375.516 4.453 20 0 GIADRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)s1 ZINC000178035116 822292263 /nfs/dbraw/zinc/29/22/63/822292263.db2.gz YYUVYZDESXWKQR-MJBXVCDLSA-N 2 0 375.376 4.051 20 0 GIADRP CC[C@@H](C(=O)N1CCC([NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1)c1ccccc1 ZINC000178274993 822362178 /nfs/dbraw/zinc/36/21/78/822362178.db2.gz VBKOAIKNOKHSNQ-JOCHJYFZSA-N 2 0 385.596 4.024 20 0 GIADRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1cccc(N2CCOC2=O)c1 ZINC000178635050 822398087 /nfs/dbraw/zinc/39/80/87/822398087.db2.gz BWLHENSPTCGDAE-LJQANCHMSA-N 2 0 393.531 4.206 20 0 GIADRP Cc1oc(-c2cccs2)nc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182963436 822400686 /nfs/dbraw/zinc/40/06/86/822400686.db2.gz YCPNPRZLIJYAHJ-UHFFFAOYSA-N 2 0 389.565 4.036 20 0 GIADRP COc1ccc([C@@H](C)[NH2+]C[C@H](CO)c2ccccc2)cc1C[NH+]1CCCCC1 ZINC000183081097 822422259 /nfs/dbraw/zinc/42/22/59/822422259.db2.gz ULHXEUKICCRSDQ-AUSIDOKSSA-N 2 0 382.548 4.108 20 0 GIADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000046007949 822434012 /nfs/dbraw/zinc/43/40/12/822434012.db2.gz UWWJWTRSSBGWCI-IBGZPJMESA-N 2 0 394.563 4.302 20 0 GIADRP C[C@H]([NH2+]C1CCC2(CC1)c1ccccc1NC2=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183191202 822438749 /nfs/dbraw/zinc/43/87/49/822438749.db2.gz YGBLUOQBJFFECZ-VZZOBAOTSA-N 2 0 381.564 4.062 20 0 GIADRP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179391406 822475832 /nfs/dbraw/zinc/47/58/32/822475832.db2.gz SXPXHLFCVQJQDM-SFHVURJKSA-N 2 0 398.526 4.095 20 0 GIADRP CCn1c(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)nc2cc(F)ccc21 ZINC000179392048 822476091 /nfs/dbraw/zinc/47/60/91/822476091.db2.gz JBPXZAIRUZWXSH-UHFFFAOYSA-N 2 0 395.526 4.329 20 0 GIADRP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000179392389 822476165 /nfs/dbraw/zinc/47/61/65/822476165.db2.gz FWAUYRSMKBMEAV-HXUWFJFHSA-N 2 0 394.563 4.264 20 0 GIADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cnn(-c2ccccc2)c1 ZINC000179395665 822476645 /nfs/dbraw/zinc/47/66/45/822476645.db2.gz QDELUXLFDZEYEQ-UHFFFAOYSA-N 2 0 375.520 4.006 20 0 GIADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1nc(-c2ccccc2)no1 ZINC000179478207 822488338 /nfs/dbraw/zinc/48/83/38/822488338.db2.gz XYTASZKIGUYRTH-ROUUACIJSA-N 2 0 394.519 4.131 20 0 GIADRP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CC3(CCCCC3)Oc3ccccc32)ccn1 ZINC000179509540 822493362 /nfs/dbraw/zinc/49/33/62/822493362.db2.gz PZTJXIPIRIREMD-NRFANRHFSA-N 2 0 395.547 4.338 20 0 GIADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000046671125 822501727 /nfs/dbraw/zinc/50/17/27/822501727.db2.gz WAQBVPCGNRKCJM-HXUWFJFHSA-N 2 0 385.577 4.157 20 0 GIADRP CCN1CC[NH+](CCCC[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C(C)C)CC1 ZINC000180015597 822597091 /nfs/dbraw/zinc/59/70/91/822597091.db2.gz WZIVFMGRFNODKV-HXUWFJFHSA-N 2 0 385.518 4.410 20 0 GIADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1nc2ccc(Cl)cc2n1C ZINC000180024758 822599339 /nfs/dbraw/zinc/59/93/39/822599339.db2.gz CVUVREOYKWTFGD-HNNXBMFYSA-N 2 0 386.927 4.018 20 0 GIADRP CC(C)[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000180124143 822620348 /nfs/dbraw/zinc/62/03/48/822620348.db2.gz GAKHOFDLNDYANC-OXJNMPFZSA-N 2 0 384.486 4.493 20 0 GIADRP Cc1ccc([C@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c2ccccc2)cc1 ZINC000180138527 822624364 /nfs/dbraw/zinc/62/43/64/822624364.db2.gz XMKPOLIMOCIKSP-RUZDIDTESA-N 2 0 386.543 4.021 20 0 GIADRP COCCC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccc(Br)cc1 ZINC000180402836 822676197 /nfs/dbraw/zinc/67/61/97/822676197.db2.gz HUXPEHLITPEVQM-IBGZPJMESA-N 2 0 383.374 4.379 20 0 GIADRP C[C@@H]1[C@@H](NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000455835289 822733897 /nfs/dbraw/zinc/73/38/97/822733897.db2.gz ACFMCGUMDHSOIZ-VSDWSMLSSA-N 2 0 392.547 4.020 20 0 GIADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455894355 822743797 /nfs/dbraw/zinc/74/37/97/822743797.db2.gz CTMHKXKLWPMFFD-HSZRJFAPSA-N 2 0 394.563 4.351 20 0 GIADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000455942354 822754437 /nfs/dbraw/zinc/75/44/37/822754437.db2.gz VDEWURGFHZGDIX-FHZYATBESA-N 2 0 392.547 4.193 20 0 GIADRP C[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccc(Br)cc1Br ZINC000051694126 822773916 /nfs/dbraw/zinc/77/39/16/822773916.db2.gz OFPQWFYTEKPNIO-OIKLOGQESA-N 2 0 376.136 4.132 20 0 GIADRP C[N@H+](CCC(=O)Nc1ccccc1Cl)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174404705 822785528 /nfs/dbraw/zinc/78/55/28/822785528.db2.gz RKXIXDYMVBREHT-IBGZPJMESA-N 2 0 385.939 4.123 20 0 GIADRP C[NH+](C)CCCC(C)(C)NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000456168122 822785752 /nfs/dbraw/zinc/78/57/52/822785752.db2.gz KWUMSLYXRDSAST-UHFFFAOYSA-N 2 0 381.564 4.169 20 0 GIADRP CC[N@H+](Cc1ccc(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)cc1)C1CC1 ZINC000456256642 822790701 /nfs/dbraw/zinc/79/07/01/822790701.db2.gz CRSIKCVMWCEREC-HSZRJFAPSA-N 2 0 377.532 4.472 20 0 GIADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3ccc(C[NH+]4CCSCC4)cc3)ccc21 ZINC000456272831 822792395 /nfs/dbraw/zinc/79/23/95/822792395.db2.gz LOEOYBDMDKYNCU-JOCHJYFZSA-N 2 0 395.572 4.037 20 0 GIADRP C[C@H]1C[C@H]([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC[N@@H+]1C ZINC000174516947 822799822 /nfs/dbraw/zinc/79/98/22/822799822.db2.gz BJGZHSHSGRNPJF-LAUBAEHRSA-N 2 0 378.495 4.251 20 0 GIADRP CCOc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ccc1OCC(F)(F)F ZINC000174598845 822810234 /nfs/dbraw/zinc/81/02/34/822810234.db2.gz AWOBSAYPAKEDHQ-ALOPSCKCSA-N 2 0 386.458 4.131 20 0 GIADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000052816813 822811609 /nfs/dbraw/zinc/81/16/09/822811609.db2.gz UPNAYSPWQGUATJ-HNNXBMFYSA-N 2 0 391.918 4.438 20 0 GIADRP O=C(c1cccc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1)N1CCCCC1 ZINC000054809130 822915070 /nfs/dbraw/zinc/91/50/70/822915070.db2.gz SSBSSGIMLJCKLB-UHFFFAOYSA-N 2 0 397.607 4.401 20 0 GIADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(Oc2ccccc2)c(F)c1 ZINC000186598998 822921229 /nfs/dbraw/zinc/92/12/29/822921229.db2.gz MHILFZPGEOVCCN-RTBURBONSA-N 2 0 385.527 4.295 20 0 GIADRP CCOc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)CCO2 ZINC000186700446 822940288 /nfs/dbraw/zinc/94/02/88/822940288.db2.gz JYUBONXPOYZIJI-VGSWGCGISA-N 2 0 384.520 4.200 20 0 GIADRP Cc1cc(Br)cc([C@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)c1O ZINC000186966804 822988914 /nfs/dbraw/zinc/98/89/14/822988914.db2.gz NLFQWVFSQAKUTH-AWEZNQCLSA-N 2 0 377.326 4.376 20 0 GIADRP FC(F)(F)c1ccc(-n2cc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cn2)cc1 ZINC000570127738 823008141 /nfs/dbraw/zinc/00/81/41/823008141.db2.gz BQQNYQFHCXZQHD-UHFFFAOYSA-N 2 0 392.469 4.199 20 0 GIADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000187086124 823008834 /nfs/dbraw/zinc/00/88/34/823008834.db2.gz KLOZTRHRIFUHLA-IBGZPJMESA-N 2 0 383.580 4.072 20 0 GIADRP Cc1c(Br)cccc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000570176572 823012501 /nfs/dbraw/zinc/01/25/01/823012501.db2.gz SVSIJISHEUEEPS-UYAOXDASSA-N 2 0 387.321 4.103 20 0 GIADRP Brc1ccc(C[NH2+]CCCCC[NH+]2CCCC2)c2ncccc12 ZINC000570348486 823027588 /nfs/dbraw/zinc/02/75/88/823027588.db2.gz UILINSGSEGSVOL-UHFFFAOYSA-N 2 0 376.342 4.353 20 0 GIADRP Brc1cccc(N2CC[C@@H]([NH2+]C3CC[NH+](C4CCCC4)CC3)C2)c1 ZINC000570433692 823037792 /nfs/dbraw/zinc/03/77/92/823037792.db2.gz ZLLCHNGAGCQOHW-GOSISDBHSA-N 2 0 392.385 4.024 20 0 GIADRP CCCCN(C)C(=O)C1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411178008 823554682 /nfs/dbraw/zinc/55/46/82/823554682.db2.gz IWAQNHYLZOFEKP-UHFFFAOYSA-N 2 0 385.596 4.143 20 0 GIADRP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c1 ZINC000411429647 823573213 /nfs/dbraw/zinc/57/32/13/823573213.db2.gz RNPCTDDMFZFZQV-OAQYLSRUSA-N 2 0 379.552 4.048 20 0 GIADRP O=C1CCCN1C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000411449928 823575835 /nfs/dbraw/zinc/57/58/35/823575835.db2.gz SMPSLHLDLYPSQS-DEOSSOPVSA-N 2 0 391.559 4.126 20 0 GIADRP C[C@@H]([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411514757 823583138 /nfs/dbraw/zinc/58/31/38/823583138.db2.gz GRIDNLJFPSAIIK-WBVHZDCISA-N 2 0 388.943 4.175 20 0 GIADRP C[C@@H]([NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411518420 823583632 /nfs/dbraw/zinc/58/36/32/823583632.db2.gz PGROBFCFGCTJJD-HZPDHXFCSA-N 2 0 397.485 4.277 20 0 GIADRP CC(CC[NH+]1CCCC[C@H]1c1cc[nH]n1)CC[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000411719337 823599726 /nfs/dbraw/zinc/59/97/26/823599726.db2.gz NMKCPJVZMVFGEO-VXKWHMMOSA-N 2 0 384.572 4.303 20 0 GIADRP CC[NH+](CC)Cc1ccc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000061567849 823604310 /nfs/dbraw/zinc/60/43/10/823604310.db2.gz QXTCUUADJWNTJU-UHFFFAOYSA-N 2 0 399.604 4.232 20 0 GIADRP COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000124579249 823608027 /nfs/dbraw/zinc/60/80/27/823608027.db2.gz XZBKWPNVMZULDF-QRVBRYPASA-N 2 0 398.547 4.164 20 0 GIADRP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc1)CC2 ZINC000124598647 823609962 /nfs/dbraw/zinc/60/99/62/823609962.db2.gz LPOGVIBEROBEGJ-QZTZHPFYSA-N 2 0 380.532 4.082 20 0 GIADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3ccc(Br)o3)CC2)cc1 ZINC000190905587 823622342 /nfs/dbraw/zinc/62/23/42/823622342.db2.gz ORXJUBATNSAISO-UHFFFAOYSA-N 2 0 393.325 4.053 20 0 GIADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412116323 823627598 /nfs/dbraw/zinc/62/75/98/823627598.db2.gz KHSYJXWFDXJKCF-GGAORHGYSA-N 2 0 397.607 4.399 20 0 GIADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3cccc(C[NH+]4CCCCC4)c3)ccc21 ZINC000412376116 823650746 /nfs/dbraw/zinc/65/07/46/823650746.db2.gz HSMCAJIMOBCSNK-HSZRJFAPSA-N 2 0 377.532 4.474 20 0 GIADRP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1cccc(N2CCCC2=O)c1 ZINC000125485068 823680102 /nfs/dbraw/zinc/68/01/02/823680102.db2.gz RSRDPIUTUIBWQJ-SFHVURJKSA-N 2 0 397.588 4.438 20 0 GIADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)c1 ZINC000163546739 823720055 /nfs/dbraw/zinc/72/00/55/823720055.db2.gz JHPZNMSDOXIUNS-SFHVURJKSA-N 2 0 381.520 4.336 20 0 GIADRP CC[NH+](CC)Cc1ccc(C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)cc1 ZINC000163576830 823724249 /nfs/dbraw/zinc/72/42/49/823724249.db2.gz VHGMFRWEQVNOJB-UHFFFAOYSA-N 2 0 391.559 4.451 20 0 GIADRP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000125893242 823738637 /nfs/dbraw/zinc/73/86/37/823738637.db2.gz USRITFRAJQVEDU-RHSMWYFYSA-N 2 0 387.490 4.379 20 0 GIADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000163757671 823745822 /nfs/dbraw/zinc/74/58/22/823745822.db2.gz ZNTOTRCLUQUIKJ-SFHVURJKSA-N 2 0 381.520 4.336 20 0 GIADRP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000125952732 823751630 /nfs/dbraw/zinc/75/16/30/823751630.db2.gz LNCJHDMYEDYFPJ-RDTXWAMCSA-N 2 0 383.964 4.022 20 0 GIADRP C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000574519323 823753924 /nfs/dbraw/zinc/75/39/24/823753924.db2.gz OGOXYZFIWGLPPJ-AZUAARDMSA-N 2 0 393.531 4.127 20 0 GIADRP CCCC[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000164489536 823805032 /nfs/dbraw/zinc/80/50/32/823805032.db2.gz BRSYKZSAKXGUST-HNNXBMFYSA-N 2 0 396.373 4.020 20 0 GIADRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(-n2cncn2)cc1Cl ZINC000164633128 823813570 /nfs/dbraw/zinc/81/35/70/823813570.db2.gz PDTKYRFBSTVIDV-KRWDZBQOSA-N 2 0 375.948 4.228 20 0 GIADRP Cc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c(-c2cnn(C)c2)c1 ZINC000574773501 823823002 /nfs/dbraw/zinc/82/30/02/823823002.db2.gz JGIJJNDLEMIQKO-QFIPXVFZSA-N 2 0 388.559 4.349 20 0 GIADRP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000165300262 823842829 /nfs/dbraw/zinc/84/28/29/823842829.db2.gz MDVZKDLRZFORBL-AZUAARDMSA-N 2 0 391.559 4.132 20 0 GIADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1sc(-c2ccccc2F)nc1C ZINC000165951556 823867020 /nfs/dbraw/zinc/86/70/20/823867020.db2.gz ZGAAOVIESHAUCD-GDBMZVCRSA-N 2 0 379.545 4.265 20 0 GIADRP Cc1ccc(OC(F)F)c(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)c1 ZINC000168610204 823905095 /nfs/dbraw/zinc/90/50/95/823905095.db2.gz ZGZQWIAOPCEWMY-MRXNPFEDSA-N 2 0 378.463 4.388 20 0 GIADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000414091587 823907130 /nfs/dbraw/zinc/90/71/30/823907130.db2.gz LUHFZTDKCGCKGA-AGOPTVSRSA-N 2 0 376.972 4.334 20 0 GIADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1csc(-c2ccccc2)n1 ZINC000414096230 823908666 /nfs/dbraw/zinc/90/86/66/823908666.db2.gz HPKFNGAUEGNCSH-LJQANCHMSA-N 2 0 398.620 4.411 20 0 GIADRP COCCC[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1ccc(Br)cc1 ZINC000414145833 823918041 /nfs/dbraw/zinc/91/80/41/823918041.db2.gz BHCATYIMFUCAPJ-LJQANCHMSA-N 2 0 388.309 4.354 20 0 GIADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000414171667 823922342 /nfs/dbraw/zinc/92/23/42/823922342.db2.gz DKBHCUKWQJMPOK-QWHCGFSZSA-N 2 0 378.410 4.272 20 0 GIADRP C[C@@H]([NH2+][C@H]1CCSc2ccccc21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000126689293 823927800 /nfs/dbraw/zinc/92/78/00/823927800.db2.gz KDLCBXYIOVSOTJ-UZLBHIALSA-N 2 0 385.552 4.465 20 0 GIADRP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414295649 823952910 /nfs/dbraw/zinc/95/29/10/823952910.db2.gz DGOOEDUCTFVZJS-KRWDZBQOSA-N 2 0 387.593 4.253 20 0 GIADRP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)ccc1C(F)(F)F ZINC000414427518 823982710 /nfs/dbraw/zinc/98/27/10/823982710.db2.gz JQOZOOFUMQYGFR-FQEVSTJZSA-N 2 0 392.465 4.260 20 0 GIADRP C[N@H+](Cc1ccccc1NC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)C1CCCCC1 ZINC000414714574 824025679 /nfs/dbraw/zinc/02/56/79/824025679.db2.gz QJDMPLYMSGQOIG-PMACEKPBSA-N 2 0 398.595 4.305 20 0 GIADRP COc1ccc([C@@H](NC[C@H]2CC[N@@H+](C3CC3)C2)C(C)C)c(Br)c1 ZINC000575959172 824038397 /nfs/dbraw/zinc/03/83/97/824038397.db2.gz LUOGUQKLAJUFKU-KUHUBIRLSA-N 2 0 381.358 4.229 20 0 GIADRP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2cccc(Br)c2OC(F)F)cc1 ZINC000414810378 824038418 /nfs/dbraw/zinc/03/84/18/824038418.db2.gz NTALTERUNPBLKP-LLVKDONJSA-N 2 0 385.252 4.360 20 0 GIADRP Fc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000575962642 824039306 /nfs/dbraw/zinc/03/93/06/824039306.db2.gz OFOAKIGNGHVLMA-IRLDBZIGSA-N 2 0 390.506 4.170 20 0 GIADRP C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414821662 824039618 /nfs/dbraw/zinc/03/96/18/824039618.db2.gz BJLZXVHHONLCOS-WNIVUNRVSA-N 2 0 380.576 4.490 20 0 GIADRP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414841369 824040827 /nfs/dbraw/zinc/04/08/27/824040827.db2.gz NTGDGELMGFBHHK-CHWSQXEVSA-N 2 0 391.865 4.055 20 0 GIADRP [NH3+]C1(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)CCCCCC1 ZINC000414860370 824042943 /nfs/dbraw/zinc/04/29/43/824042943.db2.gz PNYKAWJYFADZBA-UHFFFAOYSA-N 2 0 394.401 4.055 20 0 GIADRP [NH3+]CCCC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccc(Br)c1 ZINC000414902592 824048080 /nfs/dbraw/zinc/04/80/80/824048080.db2.gz KAYJPASXKSJFAI-UHFFFAOYSA-N 2 0 399.336 4.130 20 0 GIADRP [NH3+]CCC[C@H](NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000414966606 824055308 /nfs/dbraw/zinc/05/53/08/824055308.db2.gz OSCGGAGFSGIHKE-QHCPKHFHSA-N 2 0 394.563 4.317 20 0 GIADRP