smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc(O)c1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000843123634 617305217 /nfs/dbraw/zinc/30/52/17/617305217.db2.gz TWENRAULOQHPFP-CYBMUJFWSA-N 2 0 291.395 0.880 20 10 CCCDRP COCC[NH2+]CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832265907 616507412 /nfs/dbraw/zinc/50/74/12/616507412.db2.gz BGWUVHUVXBVIIL-AWEZNQCLSA-N 2 0 294.399 0.105 20 10 CCCDRP [NH3+]C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000843048746 642980949 /nfs/dbraw/zinc/98/09/49/642980949.db2.gz VUEUFLVEIIMBQW-VIFPVBQESA-N 2 0 250.298 0.902 20 10 CCCDRP C[NH2+]CCN(C)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001204720520 803098400 /nfs/dbraw/zinc/09/84/00/803098400.db2.gz KFDPPEGQMLKCBQ-UHFFFAOYSA-N 2 0 262.401 0.747 20 10 CCCDRP Cc1ccc(C)c(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206467944 803247366 /nfs/dbraw/zinc/24/73/66/803247366.db2.gz DVOWRXGBTBGOPO-WCQYABFASA-N 2 0 250.342 0.760 20 10 CCCDRP CCN(CC)c1ccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(O)c1 ZINC001206525489 843852050 /nfs/dbraw/zinc/85/20/50/843852050.db2.gz RJCFBYLKVLWODK-BBRMVZONSA-N 2 0 293.411 0.990 20 10 CCCDRP COc1cc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)c(O)cc1O ZINC001205688933 846473926 /nfs/dbraw/zinc/47/39/26/846473926.db2.gz MDZFVFOVXGPHFL-OAHLLOKOSA-N 2 0 296.367 0.782 20 10 CCCDRP C[C@@H]1CN(Cc2cc3c(cc2O)OCC[NH2+]C3)CC[NH2+]1 ZINC001206396420 899990642 /nfs/dbraw/zinc/99/06/42/899990642.db2.gz LAVSWDZJJHPLCF-LLVKDONJSA-N 2 0 277.368 0.668 20 10 CCCDRP CC[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841847073 615791179 /nfs/dbraw/zinc/79/11/79/615791179.db2.gz YHMOEFGHMBFYDO-QWHCGFSZSA-N 2 0 264.373 0.606 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000841845842 616019085 /nfs/dbraw/zinc/01/90/85/616019085.db2.gz FZJQBOIZXKUCCY-HIFRSBDPSA-N 2 0 290.411 0.868 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)C(C)(C)C[NH3+])cc1 ZINC000832266148 616019332 /nfs/dbraw/zinc/01/93/32/616019332.db2.gz CZHPTFAKGKQRIA-CYBMUJFWSA-N 2 0 278.400 0.854 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2[NH2+]CC2(C)C)cc1 ZINC000832274628 616019336 /nfs/dbraw/zinc/01/93/36/616019336.db2.gz WIKNRUIJLYHZPJ-UONOGXRCSA-N 2 0 290.411 0.867 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CN[C@@H]2C[NH2+]CCOC2)cc1 ZINC000925693253 616019711 /nfs/dbraw/zinc/01/97/11/616019711.db2.gz QTRFBRANQYVDFD-UKRRQHHQSA-N 2 0 278.400 0.330 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[NH2+]CC2CC2)cc1 ZINC000841847115 616019818 /nfs/dbraw/zinc/01/98/18/616019818.db2.gz ZJQNMDWAIZUAON-OAHLLOKOSA-N 2 0 290.411 0.868 20 10 CCCDRP COc1cccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1O ZINC000314639422 631016110 /nfs/dbraw/zinc/01/61/10/631016110.db2.gz WFDMLLVFHBZVKH-CQSZACIVSA-N 2 0 291.395 0.880 20 10 CCCDRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841846082 642842310 /nfs/dbraw/zinc/84/23/10/642842310.db2.gz JPJZLWGLTORAHL-TUKIKUTGSA-N 2 0 290.411 0.867 20 10 CCCDRP [NH3+]Cc1ccc2c(c1)CCCN2C[C@H]1C[NH2+]CCO1 ZINC000852740923 643992363 /nfs/dbraw/zinc/99/23/63/643992363.db2.gz KZBPZLBZEGRRQY-CQSZACIVSA-N 2 0 261.369 0.886 20 10 CCCDRP C[C@H](O)[C@@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000865738859 645407945 /nfs/dbraw/zinc/40/79/45/645407945.db2.gz KXKORXMRXPDGFT-BBRMVZONSA-N 2 0 293.411 0.270 20 10 CCCDRP C[N@H+](CCN1CC[NH+](C)CC1)Cc1cc(O)c(O)cc1O ZINC001233486317 806062684 /nfs/dbraw/zinc/06/26/84/806062684.db2.gz IKKJDYOBYOYJSW-UHFFFAOYSA-N 2 0 295.383 0.483 20 10 CCCDRP c1cc(N2CC[NH2+]CC2)ccc1CN1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235008512 806344156 /nfs/dbraw/zinc/34/41/56/806344156.db2.gz WQRHORAANKZCEG-DOTOQJQBSA-N 2 0 286.423 0.890 20 10 CCCDRP CN(C)c1ccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(O)c1 ZINC001206481402 803252228 /nfs/dbraw/zinc/25/22/28/803252228.db2.gz SUHRXEIMOJSNQH-SMDDNHRTSA-N 2 0 265.357 0.210 20 10 CCCDRP Cc1cc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)ccc1N(C)C ZINC001206519221 803258904 /nfs/dbraw/zinc/25/89/04/803258904.db2.gz KLEJDVOVSZLOHF-ZFWWWQNUSA-N 2 0 263.385 0.812 20 10 CCCDRP CN(C)c1ccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(O)c1 ZINC001206530866 803261109 /nfs/dbraw/zinc/26/11/09/803261109.db2.gz SUHRXEIMOJSNQH-FZMZJTMJSA-N 2 0 265.357 0.210 20 10 CCCDRP Cc1cc(C)c(CNC(=O)[C@@H]([NH3+])CSCC[NH3+])c(O)c1 ZINC001220826007 804675889 /nfs/dbraw/zinc/67/58/89/804675889.db2.gz XLIIZFBDHGRESZ-LBPRGKRZSA-N 2 0 297.424 0.644 20 10 CCCDRP Oc1ccc([C@H](O)C[NH2+]C2CC[NH2+]CC2)cc1O ZINC001246071630 807141444 /nfs/dbraw/zinc/14/14/44/807141444.db2.gz BAFHYJFKRPKHFE-CYBMUJFWSA-N 2 0 252.314 0.473 20 10 CCCDRP Oc1cccc(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)c1O ZINC001246316092 807219519 /nfs/dbraw/zinc/21/95/19/807219519.db2.gz LMGAGLUBDOCXOP-NSHDSACASA-N 2 0 263.341 0.281 20 10 CCCDRP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001205725667 846617252 /nfs/dbraw/zinc/61/72/52/846617252.db2.gz JQKGSJRWIPKKCE-CQSZACIVSA-N 2 0 282.340 0.479 20 10 CCCDRP C[NH+]1CCN(c2ccc(C[NH2+]C3(C(N)=O)CC3)cc2)CC1 ZINC000792175545 581251031 /nfs/dbraw/zinc/25/10/31/581251031.db2.gz VTDNPDHBMXLSRZ-UHFFFAOYSA-N 2 0 288.395 0.546 20 10 CCCDRP CC[C@H]([NH2+]C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000852792312 615816883 /nfs/dbraw/zinc/81/68/83/615816883.db2.gz VPBVEPAYTQPZSO-KBPBESRZSA-N 2 0 278.400 0.867 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]([NH3+])C2CCC2)cc1 ZINC000817858930 616019844 /nfs/dbraw/zinc/01/98/44/616019844.db2.gz GAAJHRLIPPBJHW-HUUCEWRRSA-N 2 0 290.411 0.996 20 10 CCCDRP C[NH2+][C@@H](C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000848393549 617040548 /nfs/dbraw/zinc/04/05/48/617040548.db2.gz GSOMZJOXNUVXAA-GWCFXTLKSA-N 2 0 264.373 0.477 20 10 CCCDRP Oc1ccccc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000311887898 623811584 /nfs/dbraw/zinc/81/15/84/623811584.db2.gz VUDNAZQBIMMBBE-CQSZACIVSA-N 2 0 261.369 0.872 20 10 CCCDRP COc1cc(CN2C[C@@H]3C[NH2+]C[C@H]32)cc(C[NH+](C)C)c1O ZINC001236283082 806558262 /nfs/dbraw/zinc/55/82/62/806558262.db2.gz FCIJVLFJQVOGSE-UONOGXRCSA-N 2 0 291.395 0.866 20 10 CCCDRP C[NH+]1CCN(c2ccc(CN3C[C@@H](F)[C@@H]([NH3+])C3)cc2)CC1 ZINC001204822536 803102917 /nfs/dbraw/zinc/10/29/17/803102917.db2.gz BYSJVUWTLQXEIZ-CVEARBPZSA-N 2 0 292.402 0.919 20 10 CCCDRP O=C(NCc1ccccc1O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219923515 804447962 /nfs/dbraw/zinc/44/79/62/804447962.db2.gz PVKJTSLXBOOURV-ZDUSSCGKSA-N 2 0 289.379 0.883 20 10 CCCDRP [NH3+]CCCC[C@H]([NH3+])C(=O)NCc1ccccc1O ZINC001219923576 804448384 /nfs/dbraw/zinc/44/83/84/804448384.db2.gz RYUJIUCIBZAAMK-NSHDSACASA-N 2 0 251.330 0.465 20 10 CCCDRP Oc1ccc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)cc1O ZINC001222086447 804865019 /nfs/dbraw/zinc/86/50/19/804865019.db2.gz XZTKEFNIPYJHOE-UHFFFAOYSA-N 2 0 277.368 0.625 20 10 CCCDRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1cccc(O)c1O ZINC001148225264 840765620 /nfs/dbraw/zinc/76/56/20/840765620.db2.gz IQJVVPGMXBTHBF-UHFFFAOYSA-N 2 0 294.355 0.775 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@@H]2CC[NH2+]C2)cc1 ZINC000832272641 616019161 /nfs/dbraw/zinc/01/91/61/616019161.db2.gz HXVNHYCJDPYVAQ-WFASDCNBSA-N 2 0 290.411 0.868 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCC2C[NH2+]C2)cc1 ZINC000876506209 616019379 /nfs/dbraw/zinc/01/93/79/616019379.db2.gz HESGIGXITYWUOA-OAHLLOKOSA-N 2 0 290.411 0.868 20 10 CCCDRP [NH3+][C@@H]1CCN(Cc2cc3c(cc2O)OCC[NH2+]C3)C1 ZINC001236174100 806546859 /nfs/dbraw/zinc/54/68/59/806546859.db2.gz PLRZLLYVPOBEFB-GFCCVEGCSA-N 2 0 263.341 0.407 20 10 CCCDRP c1cc(N2CC[NH2+]CC2)ccc1OC[C@@H]1C[NH2+]CCCO1 ZINC001218301905 803946152 /nfs/dbraw/zinc/94/61/52/803946152.db2.gz IQAWDGKXYJGKOD-INIZCTEOSA-N 2 0 291.395 0.854 20 10 CCCDRP NC(=[NH2+])N(CCCC[NH3+])C(=O)CCc1ccc(O)c(O)c1 ZINC001182155462 843738138 /nfs/dbraw/zinc/73/81/38/843738138.db2.gz IZAFTXRRAACACW-UHFFFAOYSA-N 2 0 294.355 0.491 20 10 CCCDRP [NH3+][C@@H]1CC=C(C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)C1 ZINC000638350522 374950108 /nfs/dbraw/zinc/95/01/08/374950108.db2.gz KPPLEWKIUQVWED-OLZOCXBDSA-N 2 0 257.337 0.951 20 10 CCCDRP C[NH+]1CCC(O)(C[NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000265879481 389362093 /nfs/dbraw/zinc/36/20/93/389362093.db2.gz OBZSNDOYBCCURP-UHFFFAOYSA-N 2 0 294.351 0.667 20 10 CCCDRP COc1cccc(O)c1CN1CC[NH2+]CC[NH2+]CC1 ZINC000904398508 617305184 /nfs/dbraw/zinc/30/51/84/617305184.db2.gz QVJLKSMTUUYHHE-UHFFFAOYSA-N 2 0 265.357 0.396 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2([NH3+])CCC2)cc1 ZINC000841846206 616019043 /nfs/dbraw/zinc/01/90/43/616019043.db2.gz KVULALHFJGJCPE-ZDUSSCGKSA-N 2 0 276.384 0.750 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@]2(C)CC[NH2+]C2)cc1 ZINC000841846259 616019857 /nfs/dbraw/zinc/01/98/57/616019857.db2.gz NOPAAGSSGWSXNV-GDBMZVCRSA-N 2 0 290.411 0.868 20 10 CCCDRP COc1cccc(C[N@H+](C)CCN2CC[NH2+]CC2)c1O ZINC000071148553 638542233 /nfs/dbraw/zinc/54/22/33/638542233.db2.gz PRNNWKLVIQLWIK-UHFFFAOYSA-N 2 0 279.384 0.738 20 10 CCCDRP Cc1ccc(O)c(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000071409514 638573695 /nfs/dbraw/zinc/57/36/95/638573695.db2.gz IMBFCXWIISHSBX-ZDUSSCGKSA-N 2 0 291.395 0.988 20 10 CCCDRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2c(O)cc(O)cc2O)CC1 ZINC001205228986 803127742 /nfs/dbraw/zinc/12/77/42/803127742.db2.gz LKBUYMDODPEYLV-AWEZNQCLSA-N 2 0 282.340 0.479 20 10 CCCDRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]Cc1ccc(O)cc1O ZINC001253406382 808059337 /nfs/dbraw/zinc/05/93/37/808059337.db2.gz IVRLEOGKYTZBIA-LBPRGKRZSA-N 2 0 268.357 0.936 20 10 CCCDRP C[C@@]1([NH3+])CCN(Cc2cc3c(cc2O)OCC[NH2+]C3)C1 ZINC001204801943 814641895 /nfs/dbraw/zinc/64/18/95/814641895.db2.gz XLKHGZNTWLXFHG-OAHLLOKOSA-N 2 0 277.368 0.797 20 10 CCCDRP [NH3+]CC1CC[NH+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001205046269 818272328 /nfs/dbraw/zinc/27/23/28/818272328.db2.gz AKKZIWOWVYBROG-UHFFFAOYSA-N 2 0 252.314 0.974 20 10 CCCDRP CC[NH2+][C@H](C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876506598 615128318 /nfs/dbraw/zinc/12/83/18/615128318.db2.gz MFYSQRPIGCOFIZ-BXUZGUMPSA-N 2 0 278.400 0.867 20 10 CCCDRP CCOc1ccc(O)c(C[NH2+]CCN2CC[NH2+]CC2)c1 ZINC000841043862 615512015 /nfs/dbraw/zinc/51/20/15/615512015.db2.gz XWNAWKXIUQDSDY-UHFFFAOYSA-N 2 0 279.384 0.786 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000843296614 616018992 /nfs/dbraw/zinc/01/89/92/616018992.db2.gz BLIFVAQPAUNQIO-SCRDCRAPSA-N 2 0 276.384 0.606 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@]2(C)CC[NH2+]C2)cc1 ZINC000841846260 616019445 /nfs/dbraw/zinc/01/94/45/616019445.db2.gz NOPAAGSSGWSXNV-GOEBONIOSA-N 2 0 290.411 0.868 20 10 CCCDRP C[N@H+](CCN1CC[NH2+]CC1)Cc1cc2c(cc1O)OCO2 ZINC000843052449 616088513 /nfs/dbraw/zinc/08/85/13/616088513.db2.gz LGBSBFHOXBQGGX-UHFFFAOYSA-N 2 0 293.367 0.458 20 10 CCCDRP Oc1ccccc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000311887895 623811462 /nfs/dbraw/zinc/81/14/62/623811462.db2.gz VUDNAZQBIMMBBE-AWEZNQCLSA-N 2 0 261.369 0.872 20 10 CCCDRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000063178489 637205476 /nfs/dbraw/zinc/20/54/76/637205476.db2.gz VMGHVVCNWUASBA-ZDUSSCGKSA-N 2 0 277.368 0.679 20 10 CCCDRP Cc1cccc(O)c1C[NH+]1CCNCC[NH2+]CCNCC1 ZINC001235874970 806512097 /nfs/dbraw/zinc/51/20/97/806512097.db2.gz YOKZUHQVMCBZNA-UHFFFAOYSA-N 2 0 292.427 0.285 20 10 CCCDRP COc1cc(O)c(CN(CC[NH3+])CC[NH3+])c(Cl)c1 ZINC001235879814 806513698 /nfs/dbraw/zinc/51/36/98/806513698.db2.gz GJUXIHZJWBONBS-UHFFFAOYSA-N 2 0 273.764 0.774 20 10 CCCDRP CN(Cc1ccc(N2CC[NH2+]CC2)cc1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236415428 806589021 /nfs/dbraw/zinc/58/90/21/806589021.db2.gz UHUWZLRVNIHNLZ-FVQHAEBGSA-N 2 0 286.423 0.746 20 10 CCCDRP C[C@@H]1CN(Cc2ccc(N3CC[NH2+]CC3)cc2O)CC[NH2+]1 ZINC001206388335 803237900 /nfs/dbraw/zinc/23/79/00/803237900.db2.gz IIHOGGZKBWSDEQ-CYBMUJFWSA-N 2 0 290.411 0.596 20 10 CCCDRP [NH3+][C@H]1C[C@@H](F)CN(Cc2cc3c(cc2O)OCC[NH2+]C3)C1 ZINC001206447121 803245478 /nfs/dbraw/zinc/24/54/78/803245478.db2.gz WRJDPSHTQBDEJS-OLZOCXBDSA-N 2 0 295.358 0.745 20 10 CCCDRP COc1cccc(C[NH2+]CC2(O)CC[NH+](C)CC2)c1O ZINC000077450329 349110398 /nfs/dbraw/zinc/11/03/98/349110398.db2.gz FBQVCTXDTNNLRC-UHFFFAOYSA-N 2 0 280.368 0.947 20 10 CCCDRP COc1cccc(O)c1C[N@H+](C)CCOCC[NH3+] ZINC000863649154 617304836 /nfs/dbraw/zinc/30/48/36/617304836.db2.gz AEANSMRUSGNBJA-UHFFFAOYSA-N 2 0 254.330 0.808 20 10 CCCDRP CCOc1ccc(O)c(C[N@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000841091770 615511971 /nfs/dbraw/zinc/51/19/71/615511971.db2.gz FVIUBPMLTMRCSP-NSHDSACASA-N 2 0 254.330 0.542 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCC[NH3+])cc1 ZINC000832274684 616019333 /nfs/dbraw/zinc/01/93/33/616019333.db2.gz XGRJXHGQPYYRNQ-CYBMUJFWSA-N 2 0 264.373 0.608 20 10 CCCDRP C[N@H+](CCOCC[NH3+])Cc1ccc(N2CCOCC2)cc1 ZINC000844221426 616115919 /nfs/dbraw/zinc/11/59/19/616115919.db2.gz ZRXKCVXIOXOEPP-UHFFFAOYSA-N 2 0 293.411 0.930 20 10 CCCDRP C[NH2+]CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832267582 616937249 /nfs/dbraw/zinc/93/72/49/616937249.db2.gz WNMYDSJAVDLANH-LBPRGKRZSA-N 2 0 250.346 0.088 20 10 CCCDRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000219824765 623830284 /nfs/dbraw/zinc/83/02/84/623830284.db2.gz VLEUIJBNLSPBPF-NSHDSACASA-N 2 0 295.358 0.818 20 10 CCCDRP C[C@H](O)[C@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000865738862 645407678 /nfs/dbraw/zinc/40/76/78/645407678.db2.gz KXKORXMRXPDGFT-XJKSGUPXSA-N 2 0 293.411 0.270 20 10 CCCDRP C[C@H]1C[NH2+]CCN1Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001235360566 806411602 /nfs/dbraw/zinc/41/16/02/806411602.db2.gz IJSCBJYPRSSDCH-NSHDSACASA-N 2 0 277.368 0.668 20 10 CCCDRP c1cc(N2CC[NH2+]CC2)ccc1CN1C[C@H]2C[NH2+][C@H]2C1 ZINC001236286036 806560210 /nfs/dbraw/zinc/56/02/10/806560210.db2.gz SDOBVIFROFBPDW-ZBFHGGJFSA-N 2 0 272.396 0.500 20 10 CCCDRP COc1cc(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c(O)c1 ZINC001205973193 803194241 /nfs/dbraw/zinc/19/42/41/803194241.db2.gz KQGYCCSHGSXVFQ-TZMCWYRMSA-N 2 0 266.341 0.603 20 10 CCCDRP [NH3+][C@H](CC(=O)N[C@H]1CCC[NH2+]C1)c1ccccc1O ZINC001220887292 804692624 /nfs/dbraw/zinc/69/26/24/804692624.db2.gz ZIBNMTUTFIBRGD-CMPLNLGQSA-N 2 0 263.341 0.650 20 10 CCCDRP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)CC[NH2+]1 ZINC001246076210 807142974 /nfs/dbraw/zinc/14/29/74/807142974.db2.gz YGJGFMFPEMAJHP-OLUVUFQESA-N 2 0 266.341 0.861 20 10 CCCDRP COc1cc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)cc(O)c1O ZINC001205210096 897397993 /nfs/dbraw/zinc/39/79/93/897397993.db2.gz MODJWOYAXNJAMP-HNNXBMFYSA-N 2 0 296.367 0.782 20 10 CCCDRP C[N@H+](CCO)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775639295 582032405 /nfs/dbraw/zinc/03/24/05/582032405.db2.gz SJOCEYXRSKWDCK-UHFFFAOYSA-N 2 0 263.385 0.863 20 10 CCCDRP CN(C)c1ccc(CN2CC[NH2+]CC[NH2+]CC2)cc1 ZINC000904397591 616013762 /nfs/dbraw/zinc/01/37/62/616013762.db2.gz GIBVFVHBIVGTMA-UHFFFAOYSA-N 2 0 262.401 0.747 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC[C@@]23C[C@@H]2C[NH2+]C3)cc1 ZINC000853246122 616019654 /nfs/dbraw/zinc/01/96/54/616019654.db2.gz GYVJYPYXLDOYNC-BMFZPTHFSA-N 2 0 274.412 0.952 20 10 CCCDRP Oc1ccc(F)cc1C[NH2+]CCN1CC[NH2+]CC1 ZINC000083396131 638797667 /nfs/dbraw/zinc/79/76/67/638797667.db2.gz FZNXZLGIHSGRFA-UHFFFAOYSA-N 2 0 253.321 0.526 20 10 CCCDRP [NH3+][C@H]1CCN(Cc2cc3c(cc2O)OCC[NH2+]C3)C1 ZINC001236174101 806546110 /nfs/dbraw/zinc/54/61/10/806546110.db2.gz PLRZLLYVPOBEFB-LBPRGKRZSA-N 2 0 263.341 0.407 20 10 CCCDRP CCc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c(O)c1 ZINC001205973456 803194518 /nfs/dbraw/zinc/19/45/18/803194518.db2.gz UBXPLWIJCAUFPG-TZMCWYRMSA-N 2 0 250.342 0.849 20 10 CCCDRP C[N@H+](Cc1ccccc1O)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246862593 807412404 /nfs/dbraw/zinc/41/24/04/807412404.db2.gz LOOZLRFOUAZGRJ-CYBMUJFWSA-N 2 0 261.369 0.918 20 10 CCCDRP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1ccc(O)cc1O)C2 ZINC001275952581 848872719 /nfs/dbraw/zinc/87/27/19/848872719.db2.gz IEMQNTCLDDKNBC-UHFFFAOYSA-N 2 0 291.395 0.777 20 10 CCCDRP COc1ccc(O)c([C@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)c1 ZINC000817945768 617274241 /nfs/dbraw/zinc/27/42/41/617274241.db2.gz LNKJXDGDPSXVHU-NSHDSACASA-N 2 0 293.367 0.483 20 10 CCCDRP COc1cccc(O)c1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000843124756 617305428 /nfs/dbraw/zinc/30/54/28/617305428.db2.gz MZRIRPDLDDBTTB-CYBMUJFWSA-N 2 0 291.395 0.880 20 10 CCCDRP CC[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841847071 615523050 /nfs/dbraw/zinc/52/30/50/615523050.db2.gz YHMOEFGHMBFYDO-CHWSQXEVSA-N 2 0 264.373 0.606 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2c[nH+]ccc2N)cc1 ZINC000841846267 616019425 /nfs/dbraw/zinc/01/94/25/616019425.db2.gz OBXQWWAAASUMBT-HNNXBMFYSA-N 2 0 299.378 0.990 20 10 CCCDRP C[NH2+]C[C@@H](C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841845648 616973750 /nfs/dbraw/zinc/97/37/50/616973750.db2.gz CGSIQOSYZGZANZ-BXUZGUMPSA-N 2 0 278.400 0.724 20 10 CCCDRP C[C@H]([NH3+])CCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841846104 642842792 /nfs/dbraw/zinc/84/27/92/642842792.db2.gz KGJNOWNLKXDNFQ-FZMZJTMJSA-N 2 0 278.400 0.996 20 10 CCCDRP C[N@H+](CCO)Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001236255463 806557683 /nfs/dbraw/zinc/55/76/83/806557683.db2.gz FMMJQIKZKGLMLC-UHFFFAOYSA-N 2 0 252.314 0.298 20 10 CCCDRP C[C@H]([NH3+])CN(C)Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001236904458 806618723 /nfs/dbraw/zinc/61/87/23/806618723.db2.gz OEMYTVQWVIRLNW-LBPRGKRZSA-N 2 0 278.400 0.581 20 10 CCCDRP [NH3+][C@H](CC(=O)N1CCC([NH3+])CC1)c1ccccc1O ZINC001160513264 801956623 /nfs/dbraw/zinc/95/66/23/801956623.db2.gz ALOKTAKNYCDXOK-GFCCVEGCSA-N 2 0 263.341 0.732 20 10 CCCDRP Cc1cc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)ccc1N(C)C ZINC001206468547 803249076 /nfs/dbraw/zinc/24/90/76/803249076.db2.gz KLEJDVOVSZLOHF-DZGCQCFKSA-N 2 0 263.385 0.812 20 10 CCCDRP Oc1cccc(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)c1O ZINC001246316090 807219408 /nfs/dbraw/zinc/21/94/08/807219408.db2.gz LMGAGLUBDOCXOP-LLVKDONJSA-N 2 0 263.341 0.281 20 10 CCCDRP Oc1ccc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)c(O)c1 ZINC001222085958 811856946 /nfs/dbraw/zinc/85/69/46/811856946.db2.gz QMYFGBMXBNBCSY-UHFFFAOYSA-N 2 0 277.368 0.625 20 10 CCCDRP COc1cccc(CN2CC[NH2+]CC[NH2+]CC2)c1O ZINC000904397583 617297563 /nfs/dbraw/zinc/29/75/63/617297563.db2.gz GAMZOIZQUVRAER-UHFFFAOYSA-N 2 0 265.357 0.396 20 10 CCCDRP CC[NH2+]CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841846485 615078629 /nfs/dbraw/zinc/07/86/29/615078629.db2.gz PBUUIHSDAATCGV-CYBMUJFWSA-N 2 0 264.373 0.478 20 10 CCCDRP CN(C)c1ccc(C[NH2+]CCN2CC[NH2+]CC2)cc1F ZINC000841043063 616015475 /nfs/dbraw/zinc/01/54/75/616015475.db2.gz NXJQCAUWKOFZGZ-UHFFFAOYSA-N 2 0 280.391 0.887 20 10 CCCDRP C[NH+]1CCN(c2ccc(CN3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000843044772 616247245 /nfs/dbraw/zinc/24/72/45/616247245.db2.gz IWMPFSFBVOBRCW-OAHLLOKOSA-N 2 0 274.412 0.971 20 10 CCCDRP C[NH2+]CCCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841845852 616940264 /nfs/dbraw/zinc/94/02/64/616940264.db2.gz GDAXOIQPMFLGQC-AWEZNQCLSA-N 2 0 278.400 0.868 20 10 CCCDRP [NH3+][C@]12C[C@H]1CN(Cc1ccc(N3CC[NH2+]CC3)cc1O)C2 ZINC001236031570 806532694 /nfs/dbraw/zinc/53/26/94/806532694.db2.gz XKCXASLJMSIYSM-BBRMVZONSA-N 3 0 288.395 0.335 20 10 CCCDRP c1cc(N2CC[NH2+]CC2)ccc1CN1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001236281547 806559186 /nfs/dbraw/zinc/55/91/86/806559186.db2.gz AHHJFLRXHDHURF-HOCLYGCPSA-N 2 0 272.396 0.500 20 10 CCCDRP CO[C@@H]1CN(Cc2ccc(N3CC[NH2+]CC3)cc2)C[C@@H]1[NH3+] ZINC001237101293 806639612 /nfs/dbraw/zinc/63/96/12/806639612.db2.gz BAWDXFYYZQHWIR-JKSUJKDBSA-N 2 0 290.411 0.254 20 10 CCCDRP Oc1cc2c(cc1C[NH2+]CCCN1CC[NH2+]CC1)OCO2 ZINC000841028501 800065740 /nfs/dbraw/zinc/06/57/40/800065740.db2.gz HQVYMBLBPBTVDC-UHFFFAOYSA-N 2 0 293.367 0.506 20 10 CCCDRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2cc(O)ccc2O)CC1 ZINC001205228651 803127960 /nfs/dbraw/zinc/12/79/60/803127960.db2.gz GYSIYUYDQPTQCE-AWEZNQCLSA-N 2 0 266.341 0.774 20 10 CCCDRP COc1ccc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)c(O)c1 ZINC001222085813 804864543 /nfs/dbraw/zinc/86/45/43/804864543.db2.gz LUTKYEXPUJGXTB-UHFFFAOYSA-N 2 0 291.395 0.928 20 10 CCCDRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccc(N)cc1)C2 ZINC001345160730 923814861 /nfs/dbraw/zinc/81/48/61/923814861.db2.gz YCIFVOJZIGSCRF-BJJXKVORSA-N 2 0 289.379 0.981 20 10 CCCDRP CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CC[NH2+]2)[NH+](C)C)cc1 ZINC001355639898 926295070 /nfs/dbraw/zinc/29/50/70/926295070.db2.gz LHNURMULJLWKRZ-HUUCEWRRSA-N 2 0 290.411 0.833 20 10 CCCDRP COc1cccc(C[NH2+]CC2([NH3+])CCOCC2)c1O ZINC000863481624 617299944 /nfs/dbraw/zinc/29/99/44/617299944.db2.gz KQCBMAFBUBHIDJ-UHFFFAOYSA-N 2 0 266.341 0.998 20 10 CCCDRP CC[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccccc1O ZINC000817946350 615535333 /nfs/dbraw/zinc/53/53/33/615535333.db2.gz XDDWFZAICVYTEC-CYBMUJFWSA-N 2 0 277.368 0.865 20 10 CCCDRP Oc1c(F)cccc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235870272 806512158 /nfs/dbraw/zinc/51/21/58/806512158.db2.gz JOALDJAJEHAJAF-UHFFFAOYSA-N 2 0 296.390 0.116 20 10 CCCDRP [NH3+][C@@H]1CN(Cc2ccc(N3CC[NH2+]CC3)cc2)CC[C@H]1F ZINC001235910273 806514740 /nfs/dbraw/zinc/51/47/40/806514740.db2.gz CBRSVMUUOHYPEW-HZPDHXFCSA-N 2 0 292.402 0.967 20 10 CCCDRP C[NH+]1CCN(c2ccc(CN3C[C@@H]4C[C@]4([NH3+])C3)cc2)CC1 ZINC001236029489 806530859 /nfs/dbraw/zinc/53/08/59/806530859.db2.gz UBBFEUAQMIOSRK-RDJZCZTQSA-N 2 0 286.423 0.971 20 10 CCCDRP C[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001122414686 799227434 /nfs/dbraw/zinc/22/74/34/799227434.db2.gz VGPCTWJOBQPWLZ-FZMZJTMJSA-N 2 0 278.400 0.819 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)cc1 ZINC001329703600 916139762 /nfs/dbraw/zinc/13/97/62/916139762.db2.gz OBZWCLLYWJRCMG-SPWCGHHHSA-N 2 0 288.395 0.477 20 10 CCCDRP CN(C)c1ccc([C@H](CNC(=O)C2([NH3+])CC2)[NH+](C)C)cc1 ZINC001341512428 922526846 /nfs/dbraw/zinc/52/68/46/922526846.db2.gz CCJKFGOYDZYNJQ-AWEZNQCLSA-N 2 0 290.411 0.963 20 10 CCCDRP COc1cccc(C[NH2+]CCCN2CC[NH2+]CC2)c1O ZINC000841028473 617299912 /nfs/dbraw/zinc/29/99/12/617299912.db2.gz GTXRZKVHIOULLY-UHFFFAOYSA-N 2 0 279.384 0.786 20 10 CCCDRP CCOc1ccc(C[N@H+](C)C[C@H](O)C[NH3+])c(O)c1 ZINC000841091625 615510238 /nfs/dbraw/zinc/51/02/38/615510238.db2.gz CFFKXIRNOBQHOD-LLVKDONJSA-N 2 0 254.330 0.542 20 10 CCCDRP C[NH2+]C[C@H](C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841845649 616988649 /nfs/dbraw/zinc/98/86/49/616988649.db2.gz CGSIQOSYZGZANZ-FZMZJTMJSA-N 2 0 278.400 0.724 20 10 CCCDRP C[C@@H](O)[C@@H](CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000842221211 642882960 /nfs/dbraw/zinc/88/29/60/642882960.db2.gz PSFKTMJXIJTWNR-CZUORRHYSA-N 2 0 293.411 0.270 20 10 CCCDRP Cc1cc(CN(CC[NH3+])CC[NH3+])ccc1N(C)C ZINC001235877556 806513253 /nfs/dbraw/zinc/51/32/53/806513253.db2.gz QVUUTMGYKPOOJI-UHFFFAOYSA-N 2 0 250.390 0.780 20 10 CCCDRP [NH3+][C@H](CC(=O)N1CC[C@@H]2[NH2+]CC[C@H]21)c1ccccc1O ZINC001158208818 801595948 /nfs/dbraw/zinc/59/59/48/801595948.db2.gz YVRHWBPSDZBSHD-FRRDWIJNSA-N 2 0 275.352 0.745 20 10 CCCDRP [NH3+][C@H]1CCN(c2ccc([C@@H]3CC4(C[NH2+]C4)C(=O)N3)cc2)C1 ZINC001164281083 802704325 /nfs/dbraw/zinc/70/43/25/802704325.db2.gz QNKIJWQNEACZKH-JSGCOSHPSA-N 2 0 286.379 0.375 20 10 CCCDRP C[C@H]1CN(Cc2ccc(N3CC[NH2+]CC3)cc2O)CC[NH2+]1 ZINC001206388336 803238199 /nfs/dbraw/zinc/23/81/99/803238199.db2.gz IIHOGGZKBWSDEQ-ZDUSSCGKSA-N 2 0 290.411 0.596 20 10 CCCDRP COc1cc(C)c(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(O)c1 ZINC001206480545 803249633 /nfs/dbraw/zinc/24/96/33/803249633.db2.gz BHBQDVXTFVAOPC-IINYFYTJSA-N 2 0 266.341 0.461 20 10 CCCDRP Cc1cc(C)c(CNC(=O)[C@H]([NH3+])CCC[NH3+])c(O)c1 ZINC001220825577 804674558 /nfs/dbraw/zinc/67/45/58/804674558.db2.gz NAZVJDQUCDACST-GFCCVEGCSA-N 2 0 265.357 0.691 20 10 CCCDRP Oc1ccc(CC[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)cc1O ZINC001246237445 807194857 /nfs/dbraw/zinc/19/48/57/807194857.db2.gz GNVWYWLDTSFMBX-GFCCVEGCSA-N 2 0 277.368 0.324 20 10 CCCDRP Cc1ccc(O)c(C[NH2+]C[C@@]2(O)CCN(C)C2)c1 ZINC000705443236 819508682 /nfs/dbraw/zinc/50/86/82/819508682.db2.gz JSORYMPQELKSFV-AWEZNQCLSA-N 2 0 250.342 0.857 20 10 CCCDRP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccccc1O ZINC000038031052 849299589 /nfs/dbraw/zinc/29/95/89/849299589.db2.gz FGSAVVSSWBXYNR-UHFFFAOYSA-N 2 0 263.341 0.256 20 10 CCCDRP C[C@@H](CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001308325354 901055431 /nfs/dbraw/zinc/05/54/31/901055431.db2.gz CIAXCEFLECAUCY-ZDUSSCGKSA-N 2 0 263.385 0.909 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C(C)(C)[NH3+])cc1 ZINC000832272264 616019124 /nfs/dbraw/zinc/01/91/24/616019124.db2.gz DFTLPSWMDWZLFB-LBPRGKRZSA-N 2 0 264.373 0.606 20 10 CCCDRP C[NH2+]CCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832273324 616938450 /nfs/dbraw/zinc/93/84/50/616938450.db2.gz NIUZSMBTTLHIJD-ZDUSSCGKSA-N 2 0 264.373 0.478 20 10 CCCDRP c1cc(N2CC[NH2+]CC2)ccc1CN1CC[NH2+][C@H]2C[C@H]21 ZINC001235286708 806401814 /nfs/dbraw/zinc/40/18/14/806401814.db2.gz AEGMHRZAMLZZCO-JKSUJKDBSA-N 2 0 272.396 0.642 20 10 CCCDRP [NH3+]CCN(CC[NH3+])Cc1c(O)ccc(F)c1Cl ZINC001235879454 806513660 /nfs/dbraw/zinc/51/36/60/806513660.db2.gz CEBRGQAMABIZSK-UHFFFAOYSA-N 2 0 261.728 0.904 20 10 CCCDRP C[NH+]1CCN(c2ccc(CN3C[C@H]4C[NH2+]C[C@@H]43)cc2)CC1 ZINC001236284292 806560572 /nfs/dbraw/zinc/56/05/72/806560572.db2.gz HMUZCRYGFLEIGP-WBVHZDCISA-N 2 0 286.423 0.842 20 10 CCCDRP CC[C@H]([NH3+])CN(C)Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001236883982 806617797 /nfs/dbraw/zinc/61/77/97/806617797.db2.gz JSVJMGCOCUWSJC-AWEZNQCLSA-N 2 0 292.427 0.971 20 10 CCCDRP c1cc(N2CC[NH2+]CC2)ccc1CN1CCC[NH2+]CC1 ZINC000084857406 803140969 /nfs/dbraw/zinc/14/09/69/803140969.db2.gz JOQSOTOMJJYIIT-UHFFFAOYSA-N 2 0 274.412 0.892 20 10 CCCDRP [NH3+]CCSC[C@H]([NH3+])C(=O)NCc1ccccc1O ZINC001219923148 804448562 /nfs/dbraw/zinc/44/85/62/804448562.db2.gz DGHXIFPNYXQOJG-JTQLQIEISA-N 2 0 269.370 0.028 20 10 CCCDRP Oc1cc(O)c(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)c(O)c1 ZINC001222094394 804868624 /nfs/dbraw/zinc/86/86/24/804868624.db2.gz FGGCEYAOWSRRAV-UHFFFAOYSA-N 2 0 293.367 0.331 20 10 CCCDRP c1cc(N2CC[NH2+]CC2)ccc1CN1CC2(C1)CC[NH2+]C2 ZINC001222380037 804895789 /nfs/dbraw/zinc/89/57/89/804895789.db2.gz QULQPSDPHGCRIF-UHFFFAOYSA-N 2 0 286.423 0.892 20 10 CCCDRP Oc1ccc(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)cc1O ZINC001246275993 807204419 /nfs/dbraw/zinc/20/44/19/807204419.db2.gz AGWYEOXVXHCSDX-NSHDSACASA-N 2 0 263.341 0.281 20 10 CCCDRP C[C@@H]1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2O)C[C@@H]1[NH3+] ZINC001157803577 837455882 /nfs/dbraw/zinc/45/58/82/837455882.db2.gz FAEKIWDZKRXZQX-RTXFEEFZSA-N 2 0 277.368 0.978 20 10 CCCDRP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001205666069 846302372 /nfs/dbraw/zinc/30/23/72/846302372.db2.gz ZJRWDYCVAOVVLB-AWEZNQCLSA-N 2 0 266.341 0.774 20 10 CCCDRP C[C@@H]1CCN(Cc2c(O)cc(O)cc2O)C[C@@H]1[NH3+] ZINC001205872007 847426608 /nfs/dbraw/zinc/42/66/08/847426608.db2.gz CEUBSESUAKMTEJ-KCJUWKMLSA-N 2 0 252.314 0.973 20 10 CCCDRP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1cc(O)ccc1O)C2 ZINC001275418970 848716522 /nfs/dbraw/zinc/71/65/22/848716522.db2.gz NRTYTFKHIYVXLA-UHFFFAOYSA-N 2 0 291.395 0.777 20 10 CCCDRP COc1ccc(O)c(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000385193707 853886206 /nfs/dbraw/zinc/88/62/06/853886206.db2.gz NVHZDUWNEJRPLD-CQSZACIVSA-N 2 0 291.395 0.880 20 10 CCCDRP Nc1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC001334753920 919744540 /nfs/dbraw/zinc/74/45/40/919744540.db2.gz IPUKDHHSMYVLQY-HNNXBMFYSA-N 2 0 260.385 0.748 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@@H]([NH3+])C2CC2)cc1 ZINC000841846685 616019648 /nfs/dbraw/zinc/01/96/48/616019648.db2.gz SCAYDNOHFIGRTE-HUUCEWRRSA-N 2 0 290.411 0.996 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000843298967 616019678 /nfs/dbraw/zinc/01/96/78/616019678.db2.gz RUENRWYWSUECBF-BARDWOONSA-N 2 0 288.395 0.334 20 10 CCCDRP Cc1cccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)c1O ZINC000843045658 642981625 /nfs/dbraw/zinc/98/16/25/642981625.db2.gz ZWNFLLFCKYDTQG-UHFFFAOYSA-N 2 0 277.368 0.564 20 10 CCCDRP C[C@@H](O)[C@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000865738861 645407999 /nfs/dbraw/zinc/40/79/99/645407999.db2.gz KXKORXMRXPDGFT-CZUORRHYSA-N 2 0 293.411 0.270 20 10 CCCDRP c1cc(N2CC[NH2+]CC2)ccc1CN1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001235254612 806394539 /nfs/dbraw/zinc/39/45/39/806394539.db2.gz CMFPAHRROZEQNG-DOTOQJQBSA-N 2 0 286.423 0.890 20 10 CCCDRP Cc1ccc(C)c(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206518684 803257250 /nfs/dbraw/zinc/25/72/50/803257250.db2.gz DVOWRXGBTBGOPO-AAEUAGOBSA-N 2 0 250.342 0.760 20 10 CCCDRP CC[C@@H]([NH3+])C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001333259460 918756085 /nfs/dbraw/zinc/75/60/85/918756085.db2.gz VVOYVZVSZIQTHN-OAHLLOKOSA-N 2 0 290.411 0.792 20 10 CCCDRP CC[C@H]([NH2+]C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000852792313 615816949 /nfs/dbraw/zinc/81/69/49/615816949.db2.gz VPBVEPAYTQPZSO-KGLIPLIRSA-N 2 0 278.400 0.867 20 10 CCCDRP C[NH+](C)CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852054 615865722 /nfs/dbraw/zinc/86/57/22/615865722.db2.gz VWMPVKKQZSZOSQ-UHFFFAOYSA-N 2 0 290.411 0.616 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[NH2+]C2CC2)cc1 ZINC000841847059 616019754 /nfs/dbraw/zinc/01/97/54/616019754.db2.gz XKYDUCOWMKTYKO-CQSZACIVSA-N 2 0 276.384 0.621 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@@H]2CC[NH2+]C2)cc1 ZINC000832272640 616019774 /nfs/dbraw/zinc/01/97/74/616019774.db2.gz HXVNHYCJDPYVAQ-SWLSCSKDSA-N 2 0 290.411 0.868 20 10 CCCDRP C[NH+]1CCN(c2ccc(CN3CC[C@H]([NH3+])C3)cc2)CC1 ZINC000843046957 616247198 /nfs/dbraw/zinc/24/71/98/616247198.db2.gz IWMPFSFBVOBRCW-HNNXBMFYSA-N 2 0 274.412 0.971 20 10 CCCDRP C[N@H+](CCC(N)=O)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809713214 616247237 /nfs/dbraw/zinc/24/72/37/616247237.db2.gz DGTQLYFKZJPVJZ-UHFFFAOYSA-N 2 0 290.411 0.746 20 10 CCCDRP c1cc(N2CC[NH2+]CC2)ccc1CN1CC[NH2+][C@@H]2C[C@@H]21 ZINC001235286705 806400851 /nfs/dbraw/zinc/40/08/51/806400851.db2.gz AEGMHRZAMLZZCO-CVEARBPZSA-N 2 0 272.396 0.642 20 10 CCCDRP C[N@H+](CCO)Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001236255404 806559080 /nfs/dbraw/zinc/55/90/80/806559080.db2.gz BWZMWDXIQCHTPR-UHFFFAOYSA-N 2 0 265.357 0.226 20 10 CCCDRP C[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832265931 799756825 /nfs/dbraw/zinc/75/68/25/799756825.db2.gz BXJYNYBWYUMKHQ-JOYOIKCWSA-N 2 0 250.346 0.216 20 10 CCCDRP [NH3+][C@H]1C[C@H](F)CN(Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001206425081 803240026 /nfs/dbraw/zinc/24/00/26/803240026.db2.gz UMSLAGZJAYLOLW-GJZGRUSLSA-N 2 0 292.402 0.967 20 10 CCCDRP C[NH+]1CCN(c2ccc(CNC(=O)CCC[NH3+])cc2)CC1 ZINC001262044385 809170756 /nfs/dbraw/zinc/17/07/56/809170756.db2.gz FVGXMKGYFIGVHQ-UHFFFAOYSA-N 2 0 290.411 0.794 20 10 CCCDRP C[NH+]1CCN(c2ccc(CNC(=O)C[NH3+])cc2)CC1 ZINC000169806892 819335541 /nfs/dbraw/zinc/33/55/41/819335541.db2.gz OFQSXQBZVTZADC-UHFFFAOYSA-N 2 0 262.357 0.013 20 10 CCCDRP [NH3+][C@H]1CC=C(C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)C1 ZINC000638350525 374948983 /nfs/dbraw/zinc/94/89/83/374948983.db2.gz KPPLEWKIUQVWED-STQMWFEESA-N 2 0 257.337 0.951 20 10 CCCDRP COc1ccc(N(C)CC[N@H+](C)[C@H]2C[C@H]([NH3+])C[C@@H]2O)cc1 ZINC000923388662 617267132 /nfs/dbraw/zinc/26/71/32/617267132.db2.gz SXPSVSMOHKWBBF-RCBQFDQVSA-N 2 0 293.411 0.914 20 10 CCCDRP C[NH2+]CCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832273323 616938583 /nfs/dbraw/zinc/93/85/83/616938583.db2.gz NIUZSMBTTLHIJD-CYBMUJFWSA-N 2 0 264.373 0.478 20 10 CCCDRP Cc1cccc(O)c1C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235065788 806367326 /nfs/dbraw/zinc/36/73/26/806367326.db2.gz YYLCQSJPNFXSEQ-OAHLLOKOSA-N 2 0 261.369 0.838 20 10 CCCDRP Oc1ccc(F)cc1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235869492 806510957 /nfs/dbraw/zinc/51/09/57/806510957.db2.gz GATAOCYFWBNNSO-UHFFFAOYSA-N 2 0 296.390 0.116 20 10 CCCDRP COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c(O)c1 ZINC001205981830 803195029 /nfs/dbraw/zinc/19/50/29/803195029.db2.gz HSCATXDBYNGDFG-TZMCWYRMSA-N 2 0 294.351 0.002 20 10 CCCDRP C[C@H]1CN(Cc2ccc(N3CC[NH2+]CC3)cc2)CC[NH2+]1 ZINC001206389241 803238154 /nfs/dbraw/zinc/23/81/54/803238154.db2.gz QGIWLTDWOFJYLE-AWEZNQCLSA-N 2 0 274.412 0.890 20 10 CCCDRP F[C@H]1C[NH2+]CCN(Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001210581290 803654571 /nfs/dbraw/zinc/65/45/71/803654571.db2.gz QRUGCCSQFJMDJQ-HNNXBMFYSA-N 2 0 292.402 0.840 20 10 CCCDRP CC[NH+](CC)C[C@@H](O)C[NH2+]CCc1ccc(O)c(O)c1 ZINC001253206963 808032019 /nfs/dbraw/zinc/03/20/19/808032019.db2.gz VCGJNCFVUNPPAI-ZDUSSCGKSA-N 2 0 282.384 0.933 20 10 CCCDRP C[N@H+]1C[C@@H]2C[NH+](Cc3c(O)cc(O)cc3O)C[C@@H]2C1 ZINC001144514811 840075358 /nfs/dbraw/zinc/07/53/58/840075358.db2.gz SQNGSDZRGAFLNT-AOOOYVTPSA-N 2 0 264.325 0.797 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000841846238 616019728 /nfs/dbraw/zinc/01/97/28/616019728.db2.gz MQTTUDQYJGSDKA-KGLIPLIRSA-N 2 0 276.384 0.621 20 10 CCCDRP C[NH+]1CCN(c2ccc(C[NH2+]CCCON)cc2)CC1 ZINC000904458363 616247173 /nfs/dbraw/zinc/24/71/73/616247173.db2.gz WVQIWFYABVFCPF-UHFFFAOYSA-N 2 0 278.400 0.808 20 10 CCCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CNOC3)cc2)CC1 ZINC000904424740 616247224 /nfs/dbraw/zinc/24/72/24/616247224.db2.gz MCSLEVOPFRLMOH-CQSZACIVSA-N 2 0 276.384 0.431 20 10 CCCDRP C[C@@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)[NH+](C)C ZINC000844162427 643164103 /nfs/dbraw/zinc/16/41/03/643164103.db2.gz CHSRPGQVNRQKLC-SMDDNHRTSA-N 2 0 278.400 0.819 20 10 CCCDRP C[NH+]1CCN(c2ccc(CN3C[C@H]4C[C@@]4([NH3+])C3)cc2)CC1 ZINC001236029487 806531297 /nfs/dbraw/zinc/53/12/97/806531297.db2.gz UBBFEUAQMIOSRK-NVXWUHKLSA-N 2 0 286.423 0.971 20 10 CCCDRP CN(Cc1ccc(N2CC[NH2+]CC2)cc1)[C@@H]1CC[NH2+]C1 ZINC001235740749 816903098 /nfs/dbraw/zinc/90/30/98/816903098.db2.gz MKFSSLNZHXWKGD-MRXNPFEDSA-N 2 0 274.412 0.890 20 10 CCCDRP C[C@H]1C[NH2+]CCN(Cc2cc3c(cc2O)OCC[NH2+]C3)C1 ZINC001206277622 842396287 /nfs/dbraw/zinc/39/62/87/842396287.db2.gz VSJKKDOZHYCLHD-LBPRGKRZSA-N 2 0 291.395 0.916 20 10 CCCDRP COc1cc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)c(O)cc1O ZINC001205688929 846473407 /nfs/dbraw/zinc/47/34/07/846473407.db2.gz MDZFVFOVXGPHFL-HNNXBMFYSA-N 2 0 296.367 0.782 20 10 CCCDRP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001205725662 846617726 /nfs/dbraw/zinc/61/77/26/846617726.db2.gz JQKGSJRWIPKKCE-AWEZNQCLSA-N 2 0 282.340 0.479 20 10 CCCDRP Cc1cc(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c(O)c1 ZINC001205966743 848147749 /nfs/dbraw/zinc/14/77/49/848147749.db2.gz AZPDGJVKEGCQBT-TZMCWYRMSA-N 2 0 250.342 0.903 20 10 CCCDRP CC[N@H+](CC(N)=O)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000789596038 581152234 /nfs/dbraw/zinc/15/22/34/581152234.db2.gz IUICGAXIRXSQOM-UHFFFAOYSA-N 2 0 290.411 0.746 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2C[C@@H]2C[NH3+])cc1 ZINC000911668199 616019117 /nfs/dbraw/zinc/01/91/17/616019117.db2.gz WBKCWEAIOCHQCT-BNOWGMLFSA-N 2 0 276.384 0.463 20 10 CCCDRP C[N@@H+](Cc1cc(Br)ccc1O)C[C@H](O)C[NH3+] ZINC000841091975 616164395 /nfs/dbraw/zinc/16/43/95/616164395.db2.gz ITFLUIIUBIIQTH-SNVBAGLBSA-N 2 0 289.173 0.906 20 10 CCCDRP Cc1ccc([C@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)c(O)c1 ZINC000817945742 641281739 /nfs/dbraw/zinc/28/17/39/641281739.db2.gz KOYGDLVJEJUOQH-LBPRGKRZSA-N 2 0 277.368 0.783 20 10 CCCDRP Oc1cc2c(cc1CN(C1CC1)C1C[NH2+]C1)C[NH2+]CCO2 ZINC001236065049 806541028 /nfs/dbraw/zinc/54/10/28/806541028.db2.gz WXYHEINQLLHWLF-UHFFFAOYSA-N 2 0 289.379 0.810 20 10 CCCDRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2cc(O)c(O)cc2O)CC1 ZINC001205240562 803129855 /nfs/dbraw/zinc/12/98/55/803129855.db2.gz LJXKBRFCYSRWHP-AWEZNQCLSA-N 2 0 282.340 0.479 20 10 CCCDRP COC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001252829335 807974948 /nfs/dbraw/zinc/97/49/48/807974948.db2.gz QEUOBTZNYDJGDD-HNNXBMFYSA-N 2 0 294.395 0.954 20 10 CCCDRP CC[NH2+][C@@H](C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876506601 615109356 /nfs/dbraw/zinc/10/93/56/615109356.db2.gz MFYSQRPIGCOFIZ-SMDDNHRTSA-N 2 0 278.400 0.867 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@H]2CC[NH2+]C2)cc1 ZINC000832272638 616019111 /nfs/dbraw/zinc/01/91/11/616019111.db2.gz HXVNHYCJDPYVAQ-DOMZBBRYSA-N 2 0 290.411 0.868 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)CC2([NH3+])CC2)cc1 ZINC000852792040 616019441 /nfs/dbraw/zinc/01/94/41/616019441.db2.gz PNRUXTNSQFAVDB-CYBMUJFWSA-N 2 0 276.384 0.750 20 10 CCCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCNC3=O)cc2)CC1 ZINC000850342759 616247184 /nfs/dbraw/zinc/24/71/84/616247184.db2.gz JOFUOIGXWIIZBB-HNNXBMFYSA-N 2 0 288.395 0.417 20 10 CCCDRP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cc(F)ccc1O ZINC000817945815 641281355 /nfs/dbraw/zinc/28/13/55/641281355.db2.gz MRBXGURXSGIZAA-JTQLQIEISA-N 2 0 281.331 0.614 20 10 CCCDRP C[C@@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)[C@H](C)[NH3+] ZINC000841845645 642842086 /nfs/dbraw/zinc/84/20/86/642842086.db2.gz CEIDHMFLCNGUKC-UHIISALHSA-N 2 0 278.400 0.852 20 10 CCCDRP C[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)[NH+](C)C ZINC000876505893 646614090 /nfs/dbraw/zinc/61/40/90/646614090.db2.gz CHSRPGQVNRQKLC-BXUZGUMPSA-N 2 0 278.400 0.819 20 10 CCCDRP [NH3+]C[C@H]1CCCN1Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001236250117 806556617 /nfs/dbraw/zinc/55/66/17/806556617.db2.gz DDSQDOJYQGCAQH-CYBMUJFWSA-N 2 0 277.368 0.797 20 10 CCCDRP COc1cc(C[N@H+](C)C[C@@H](O)CO)cc(C[NH+](C)C)c1O ZINC001139255190 799800494 /nfs/dbraw/zinc/80/04/94/799800494.db2.gz NPYNMBWREGSPJS-CYBMUJFWSA-N 2 0 298.383 0.247 20 10 CCCDRP O=C([C@@H]1C[NH2+]CC12C[NH2+]C2)N1CCc2cccc(O)c2C1 ZINC001160872679 802036918 /nfs/dbraw/zinc/03/69/18/802036918.db2.gz OZXOSQIHJHHNEW-ZDUSSCGKSA-N 2 0 287.363 0.086 20 10 CCCDRP COc1cccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206464859 803246972 /nfs/dbraw/zinc/24/69/72/803246972.db2.gz UUIYHTOIYZUMKP-WDEREUQCSA-N 2 0 252.314 0.152 20 10 CCCDRP CCOc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(O)c1 ZINC001206480566 803250604 /nfs/dbraw/zinc/25/06/04/803250604.db2.gz CBJGXDJHMUGOQQ-SMDDNHRTSA-N 2 0 266.341 0.542 20 10 CCCDRP Cc1cc(C)c(CNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)c(O)c1 ZINC001220825785 804676171 /nfs/dbraw/zinc/67/61/71/804676171.db2.gz QXMVXVOTVHZHHM-HNNXBMFYSA-N 2 0 291.395 0.952 20 10 CCCDRP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001205687947 846464370 /nfs/dbraw/zinc/46/43/70/846464370.db2.gz CAMZLGHKDGCRDS-AWEZNQCLSA-N 2 0 282.340 0.479 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)cc1 ZINC001329703599 916139314 /nfs/dbraw/zinc/13/93/14/916139314.db2.gz OBZWCLLYWJRCMG-CYUUQNCZSA-N 2 0 288.395 0.477 20 10 CCCDRP [NH3+][C@@H]1CC=C(C(=O)N2C[C@H]([NH3+])Cc3ccccc32)C1 ZINC000638350521 374949691 /nfs/dbraw/zinc/94/96/91/374949691.db2.gz KPPLEWKIUQVWED-CHWSQXEVSA-N 2 0 257.337 0.951 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000843298969 616018972 /nfs/dbraw/zinc/01/89/72/616018972.db2.gz RUENRWYWSUECBF-LJISPDSOSA-N 2 0 288.395 0.334 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]([NH3+])CC2CC2)cc1 ZINC000884010536 616019843 /nfs/dbraw/zinc/01/98/43/616019843.db2.gz FPVCZMONKWFGPD-LSDHHAIUSA-N 2 0 290.411 0.996 20 10 CCCDRP C[NH2+]C[C@H](C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841845651 616988666 /nfs/dbraw/zinc/98/86/66/616988666.db2.gz CGSIQOSYZGZANZ-SMDDNHRTSA-N 2 0 278.400 0.724 20 10 CCCDRP CO[C@@H](C[NH3+])CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832273468 617164651 /nfs/dbraw/zinc/16/46/51/617164651.db2.gz OEEFGIZLDCDRJT-KGLIPLIRSA-N 2 0 294.399 0.232 20 10 CCCDRP C[C@@H](C[NH3+])C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832279893 642467661 /nfs/dbraw/zinc/46/76/61/642467661.db2.gz MJUDACOOUTUHCD-GXFFZTMASA-N 2 0 264.373 0.463 20 10 CCCDRP Cc1cccc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1O ZINC001235059034 806360576 /nfs/dbraw/zinc/36/05/76/806360576.db2.gz CSYCHDYAWDQAJC-HNNXBMFYSA-N 2 0 261.369 0.838 20 10 CCCDRP [NH3+][C@@H]1CN(Cc2ccc(N3CC[NH2+]CC3)cc2)C[C@@H]1F ZINC001235892563 806515633 /nfs/dbraw/zinc/51/56/33/806515633.db2.gz BCYVDQCUUNXBOT-LSDHHAIUSA-N 2 0 278.375 0.577 20 10 CCCDRP C[NH+]1CCN(c2ccc(CN3CC(C)([NH3+])C3)cc2)CC1 ZINC001204974538 803112130 /nfs/dbraw/zinc/11/21/30/803112130.db2.gz YMIGCYOZIKQIHX-UHFFFAOYSA-N 2 0 274.412 0.971 20 10 CCCDRP Oc1ccc(O)c(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)c1 ZINC001222094759 804869086 /nfs/dbraw/zinc/86/90/86/804869086.db2.gz JYXSSRWEBPJXLQ-UHFFFAOYSA-N 2 0 277.368 0.625 20 10 CCCDRP C[C@H]1C[C@@H](NCc2ccc(N3CC[NH2+]CC3)cc2)C[NH2+]1 ZINC001246174315 807174696 /nfs/dbraw/zinc/17/46/96/807174696.db2.gz OJDGIQVRAITCHV-DZGCQCFKSA-N 2 0 274.412 0.936 20 10 CCCDRP CC[NH2+]CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841846486 615078727 /nfs/dbraw/zinc/07/87/27/615078727.db2.gz PBUUIHSDAATCGV-ZDUSSCGKSA-N 2 0 264.373 0.478 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CN[C@@H]2C[NH2+]CCOC2)cc1 ZINC000925693252 616019364 /nfs/dbraw/zinc/01/93/64/616019364.db2.gz QTRFBRANQYVDFD-HIFRSBDPSA-N 2 0 278.400 0.330 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC[C@]23C[C@H]2C[NH2+]C3)cc1 ZINC000853246125 616019713 /nfs/dbraw/zinc/01/97/13/616019713.db2.gz GYVJYPYXLDOYNC-NUEKZKHPSA-N 2 0 274.412 0.952 20 10 CCCDRP C[NH+]1CCN(c2ccc(CN(CC[NH3+])CCO)cc2)CC1 ZINC000841059288 616247220 /nfs/dbraw/zinc/24/72/20/616247220.db2.gz PLHNOUXFTQXZEQ-UHFFFAOYSA-N 2 0 292.427 0.191 20 10 CCCDRP C[C@@H](C[NH3+])C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832279892 642467227 /nfs/dbraw/zinc/46/72/27/642467227.db2.gz MJUDACOOUTUHCD-GWCFXTLKSA-N 2 0 264.373 0.463 20 10 CCCDRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841846080 642842607 /nfs/dbraw/zinc/84/26/07/642842607.db2.gz JPJZLWGLTORAHL-NILFDRSVSA-N 2 0 290.411 0.867 20 10 CCCDRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2c(O)cc(O)cc2O)CC1 ZINC001205228987 803127691 /nfs/dbraw/zinc/12/76/91/803127691.db2.gz LKBUYMDODPEYLV-CQSZACIVSA-N 2 0 282.340 0.479 20 10 CCCDRP F[C@@H]1C[NH2+]CCN(Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001210581300 803654503 /nfs/dbraw/zinc/65/45/03/803654503.db2.gz QRUGCCSQFJMDJQ-OAHLLOKOSA-N 2 0 292.402 0.840 20 10 CCCDRP Oc1ccccc1C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222085604 804863631 /nfs/dbraw/zinc/86/36/31/804863631.db2.gz DSGQHDRREIKMDP-UHFFFAOYSA-N 2 0 261.369 0.920 20 10 CCCDRP c1cc(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)cc2c1OCC2 ZINC001246201776 807185468 /nfs/dbraw/zinc/18/54/68/807185468.db2.gz XYTGZEGAKOHMIO-CQSZACIVSA-N 2 0 273.380 0.805 20 10 CCCDRP C[C@H](C[NH3+])C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001353147189 925740995 /nfs/dbraw/zinc/74/09/95/925740995.db2.gz RIPOUBPGNPMBQY-CYBMUJFWSA-N 2 0 290.411 0.649 20 10 CCCDRP CC(C)[NH2+]CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000852791514 613944439 /nfs/dbraw/zinc/94/44/39/613944439.db2.gz ILPMYTPOKCIMNA-CQSZACIVSA-N 2 0 278.400 0.867 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@]2(F)CC[NH2+]C2)cc1 ZINC000841845851 616019501 /nfs/dbraw/zinc/01/95/01/616019501.db2.gz GCRXYEHSVNURCJ-ZFWWWQNUSA-N 2 0 294.374 0.570 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CC[NH2+]2)cc1 ZINC000832274122 616019680 /nfs/dbraw/zinc/01/96/80/616019680.db2.gz SNLLWHSOAOJJGA-CHWSQXEVSA-N 2 0 262.357 0.231 20 10 CCCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CNOC3)cc2)CC1 ZINC000904425429 616247123 /nfs/dbraw/zinc/24/71/23/616247123.db2.gz MCSLEVOPFRLMOH-AWEZNQCLSA-N 2 0 276.384 0.431 20 10 CCCDRP C[NH2+]CCCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841845853 616940764 /nfs/dbraw/zinc/94/07/64/616940764.db2.gz GDAXOIQPMFLGQC-CQSZACIVSA-N 2 0 278.400 0.868 20 10 CCCDRP Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000071409518 638573272 /nfs/dbraw/zinc/57/32/72/638573272.db2.gz IMBFCXWIISHSBX-CYBMUJFWSA-N 2 0 291.395 0.988 20 10 CCCDRP Cc1cc(C[N@H+](C)C[C@@H](O)C[NH3+])ccc1N(C)C ZINC000923367770 640105501 /nfs/dbraw/zinc/10/55/01/640105501.db2.gz XIVCKZZELFVZRG-ZDUSSCGKSA-N 2 0 251.374 0.812 20 10 CCCDRP Cc1cccc(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c1O ZINC000863648126 645114068 /nfs/dbraw/zinc/11/40/68/645114068.db2.gz KFXGWERDCBDQOB-UHFFFAOYSA-N 2 0 274.324 0.945 20 10 CCCDRP C[C@@H]1CN(Cc2ccc(N3CC[NH2+]CC3)cc2)C[C@@H]1[NH3+] ZINC001236094722 806543176 /nfs/dbraw/zinc/54/31/76/806543176.db2.gz WULMAUCVTVACHQ-CJNGLKHVSA-N 2 0 274.412 0.875 20 10 CCCDRP C[C@@]1([NH3+])CCN(Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001204792601 803101674 /nfs/dbraw/zinc/10/16/74/803101674.db2.gz WPHMMRYKARJUNL-MRXNPFEDSA-N 2 0 290.411 0.725 20 10 CCCDRP CN(C)c1ccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000038030982 174023580 /nfs/dbraw/zinc/02/35/80/174023580.db2.gz XNABTZNWNBLQQC-UHFFFAOYSA-N 2 0 290.411 0.616 20 10 CCCDRP COc1cccc(O)c1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000843124758 617305398 /nfs/dbraw/zinc/30/53/98/617305398.db2.gz MZRIRPDLDDBTTB-ZDUSSCGKSA-N 2 0 291.395 0.880 20 10 CCCDRP CCOc1ccc(O)c(CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000904399083 615512175 /nfs/dbraw/zinc/51/21/75/615512175.db2.gz ZEOUBCWNCMSYJH-UHFFFAOYSA-N 2 0 279.384 0.786 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CC2([NH3+])CC2)cc1 ZINC000852792041 616019038 /nfs/dbraw/zinc/01/90/38/616019038.db2.gz PNRUXTNSQFAVDB-ZDUSSCGKSA-N 2 0 276.384 0.750 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCC[NH3+])cc1 ZINC000832274686 616019047 /nfs/dbraw/zinc/01/90/47/616019047.db2.gz XGRJXHGQPYYRNQ-ZDUSSCGKSA-N 2 0 264.373 0.608 20 10 CCCDRP Oc1ccccc1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000311587519 623764223 /nfs/dbraw/zinc/76/42/23/623764223.db2.gz FPXZYALZUQHXHU-AWEZNQCLSA-N 2 0 261.369 0.872 20 10 CCCDRP C[C@@H]([NH3+])CCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841846103 642842645 /nfs/dbraw/zinc/84/26/45/642842645.db2.gz KGJNOWNLKXDNFQ-BXUZGUMPSA-N 2 0 278.400 0.996 20 10 CCCDRP Cc1ccc(O)c(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1 ZINC001235055252 806359414 /nfs/dbraw/zinc/35/94/14/806359414.db2.gz UEOHNGMQWPSWFD-HNNXBMFYSA-N 2 0 261.369 0.838 20 10 CCCDRP Cc1ccc(O)c(CN2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001235871979 806511535 /nfs/dbraw/zinc/51/15/35/806511535.db2.gz WEWDREVNHDMDIK-UHFFFAOYSA-N 2 0 292.427 0.285 20 10 CCCDRP [NH3+][C@H]1CN(Cc2ccc(N3CC[NH2+]CC3)cc2)C[C@H]1F ZINC001204822518 803102644 /nfs/dbraw/zinc/10/26/44/803102644.db2.gz BCYVDQCUUNXBOT-CABCVRRESA-N 2 0 278.375 0.577 20 10 CCCDRP [NH3+][C@@H]1C[C@@H](F)CN(Cc2cc3c(cc2O)OCC[NH2+]C3)C1 ZINC001206447115 803245294 /nfs/dbraw/zinc/24/52/94/803245294.db2.gz WRJDPSHTQBDEJS-CHWSQXEVSA-N 2 0 295.358 0.745 20 10 CCCDRP [NH3+]C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H]1O ZINC001206518647 803256516 /nfs/dbraw/zinc/25/65/16/803256516.db2.gz BZHXOQFTOWUMEW-HOCLYGCPSA-N 2 0 291.395 0.275 20 10 CCCDRP Oc1ccccc1C[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492345 804906182 /nfs/dbraw/zinc/90/61/82/804906182.db2.gz TWSOQULWLLSBMX-KBPBESRZSA-N 2 0 261.369 0.918 20 10 CCCDRP Cc1cccc(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)c1O ZINC001246343174 807227148 /nfs/dbraw/zinc/22/71/48/807227148.db2.gz AXLUSBXWXGBWKK-CYBMUJFWSA-N 2 0 261.369 0.884 20 10 CCCDRP Nc1ccc(CC[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246466941 807258004 /nfs/dbraw/zinc/25/80/04/807258004.db2.gz QWQXXDZQTFXUFV-CQSZACIVSA-N 2 0 260.385 0.495 20 10 CCCDRP C[C@@H]1[C@H]([NH3+])CCN1Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001205196833 817914740 /nfs/dbraw/zinc/91/47/40/817914740.db2.gz BVVNFEHJUVKTOC-ZWNOBZJWSA-N 2 0 277.368 0.796 20 10 CCCDRP Nc1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC001334753921 919742785 /nfs/dbraw/zinc/74/27/85/919742785.db2.gz IPUKDHHSMYVLQY-OAHLLOKOSA-N 2 0 260.385 0.748 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]([NH3+])CC2CC2)cc1 ZINC000884010535 616019682 /nfs/dbraw/zinc/01/96/82/616019682.db2.gz FPVCZMONKWFGPD-HUUCEWRRSA-N 2 0 290.411 0.996 20 10 CCCDRP Oc1cccc2c1[C@H]([NH2+]CCN1CC[NH2+]CC1)CC2 ZINC000817945260 641281232 /nfs/dbraw/zinc/28/12/32/641281232.db2.gz YGTLCKKEWQYGHY-CYBMUJFWSA-N 2 0 261.369 0.874 20 10 CCCDRP C[C@H](C[NH3+])C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832279894 642467897 /nfs/dbraw/zinc/46/78/97/642467897.db2.gz MJUDACOOUTUHCD-MFKMUULPSA-N 2 0 264.373 0.463 20 10 CCCDRP COc1ccc(O)c(C[N@H+](C)CCOCC[NH3+])c1 ZINC000699489557 816746068 /nfs/dbraw/zinc/74/60/68/816746068.db2.gz IYFNQANBMCKOTR-UHFFFAOYSA-N 2 0 254.330 0.808 20 10 CCCDRP COc1cc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)c(O)cc1O ZINC001205240698 897724631 /nfs/dbraw/zinc/72/46/31/897724631.db2.gz NFAQSUAJMVFXCH-OAHLLOKOSA-N 2 0 296.367 0.782 20 10 CCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1CN1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001236290829 903976558 /nfs/dbraw/zinc/97/65/58/903976558.db2.gz LAUPDTJNMLBOHP-ZFWWWQNUSA-N 2 0 288.395 0.205 20 10 CCCDRP C[C@@H](C[NH3+])C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001353147190 925741645 /nfs/dbraw/zinc/74/16/45/925741645.db2.gz RIPOUBPGNPMBQY-ZDUSSCGKSA-N 2 0 290.411 0.649 20 10 CCCDRP Nc1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC001356082912 926341206 /nfs/dbraw/zinc/34/12/06/926341206.db2.gz HNHKPUJOQQYYJV-CYBMUJFWSA-N 2 0 276.384 0.556 20 10 CCCDRP COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)c1 ZINC000817945767 617274126 /nfs/dbraw/zinc/27/41/26/617274126.db2.gz LNKJXDGDPSXVHU-LLVKDONJSA-N 2 0 293.367 0.483 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]([NH3+])C2CCC2)cc1 ZINC000817858928 616019656 /nfs/dbraw/zinc/01/96/56/616019656.db2.gz GAAJHRLIPPBJHW-CABCVRRESA-N 2 0 290.411 0.996 20 10 CCCDRP C[C@@H]([NH3+])CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832266865 642467374 /nfs/dbraw/zinc/46/73/74/642467374.db2.gz JWKLJARJCGYOFG-MFKMUULPSA-N 2 0 264.373 0.606 20 10 CCCDRP [NH3+][C@@]12CC[C@H]1CN(Cc1cc3c(cc1O)OCC[NH2+]C3)C2 ZINC001235991477 806523962 /nfs/dbraw/zinc/52/39/62/806523962.db2.gz OGTHVJHUJAWEHL-XJKSGUPXSA-N 2 0 289.379 0.797 20 10 CCCDRP COc1ccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c(O)c1 ZINC001235991944 806524288 /nfs/dbraw/zinc/52/42/88/806524288.db2.gz HGVQUROVNQNZNQ-ODOQXGPZSA-N 2 0 278.352 0.806 20 10 CCCDRP CCOc1cccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206512609 803255996 /nfs/dbraw/zinc/25/59/96/803255996.db2.gz QWUYJOWFJCJQDS-RYUDHWBXSA-N 2 0 266.341 0.542 20 10 CCCDRP OC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001252073201 807792712 /nfs/dbraw/zinc/79/27/12/807792712.db2.gz WWZUDTYUBUXRKI-AWEZNQCLSA-N 2 0 280.368 0.299 20 10 CCCDRP OCC[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC000686277296 849068143 /nfs/dbraw/zinc/06/81/43/849068143.db2.gz GTDFKDCVUDQUKW-UHFFFAOYSA-N 2 0 250.342 0.939 20 10 CCCDRP COc1ccc(O)c(C[NH2+]CCOCCC[NH3+])c1 ZINC000863484507 617273210 /nfs/dbraw/zinc/27/32/10/617273210.db2.gz JAHYMTSYMHPVKP-UHFFFAOYSA-N 2 0 254.330 0.856 20 10 CCCDRP COc1cccc(O)c1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000843123635 617305281 /nfs/dbraw/zinc/30/52/81/617305281.db2.gz TWENRAULOQHPFP-ZDUSSCGKSA-N 2 0 291.395 0.880 20 10 CCCDRP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cc(F)ccc1O ZINC000817945817 641281175 /nfs/dbraw/zinc/28/11/75/641281175.db2.gz MRBXGURXSGIZAA-SNVBAGLBSA-N 2 0 281.331 0.614 20 10 CCCDRP C[C@H]([NH3+])CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832266863 642466788 /nfs/dbraw/zinc/46/67/88/642466788.db2.gz JWKLJARJCGYOFG-GWCFXTLKSA-N 2 0 264.373 0.606 20 10 CCCDRP Cc1cccc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1O ZINC001235059035 806359309 /nfs/dbraw/zinc/35/93/09/806359309.db2.gz CSYCHDYAWDQAJC-OAHLLOKOSA-N 2 0 261.369 0.838 20 10 CCCDRP COc1cc(CN2C[C@@H]3C[C@]3([NH3+])C2)cc(C[NH+](C)C)c1O ZINC001236022971 806529368 /nfs/dbraw/zinc/52/93/68/806529368.db2.gz FIAFZEKDYGGJHC-BBRMVZONSA-N 2 0 291.395 0.995 20 10 CCCDRP [NH3+][C@@]12C[C@@H]1CN(Cc1cc3c(cc1O)OCC[NH2+]C3)C2 ZINC001236027721 806531089 /nfs/dbraw/zinc/53/10/89/806531089.db2.gz OFWSMVOHPLUFCV-IUODEOHRSA-N 2 0 275.352 0.407 20 10 CCCDRP [NH3+][C@H](CC(=O)N[C@@H]1CCC[NH2+]C1)c1ccccc1O ZINC001220887293 804692396 /nfs/dbraw/zinc/69/23/96/804692396.db2.gz ZIBNMTUTFIBRGD-ZYHUDNBSSA-N 2 0 263.341 0.650 20 10 CCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1CN1C[C@H]2C[NH2+]C[C@@H]21 ZINC001236290827 903976606 /nfs/dbraw/zinc/97/66/06/903976606.db2.gz LAUPDTJNMLBOHP-HIFRSBDPSA-N 2 0 288.395 0.205 20 10 CCCDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cccc(O)c1O ZINC000790785366 581198210 /nfs/dbraw/zinc/19/82/10/581198210.db2.gz NXEPLDHMFABGHW-UHFFFAOYSA-N 2 0 295.383 0.663 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CC[NH3+])cc1 ZINC000832267215 616019005 /nfs/dbraw/zinc/01/90/05/616019005.db2.gz OKWAJKSONJEKLU-LBPRGKRZSA-N 2 0 250.346 0.217 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C(C)(C)C[NH3+])cc1 ZINC000832266152 616019011 /nfs/dbraw/zinc/01/90/11/616019011.db2.gz CZHPTFAKGKQRIA-ZDUSSCGKSA-N 2 0 278.400 0.854 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@@H]([NH3+])C2CC2)cc1 ZINC000841846683 616019155 /nfs/dbraw/zinc/01/91/55/616019155.db2.gz SCAYDNOHFIGRTE-CABCVRRESA-N 2 0 290.411 0.996 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000841845843 616019649 /nfs/dbraw/zinc/01/96/49/616019649.db2.gz FZJQBOIZXKUCCY-UKRRQHHQSA-N 2 0 290.411 0.868 20 10 CCCDRP [NH3+][C@]12C[C@H]1CN(Cc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001236027558 806530881 /nfs/dbraw/zinc/53/08/81/806530881.db2.gz OQJDMJPRFRIFCI-HOCLYGCPSA-N 2 0 272.396 0.629 20 10 CCCDRP C[NH2+][C@@H]1CCN1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236167040 806544955 /nfs/dbraw/zinc/54/49/55/806544955.db2.gz LOPLZBUTXZIJKI-HNNXBMFYSA-N 2 0 260.385 0.847 20 10 CCCDRP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCc2cccc(O)c2C1 ZINC001160871959 802036835 /nfs/dbraw/zinc/03/68/35/802036835.db2.gz CJQQORHUILRYFG-LBPRGKRZSA-N 2 0 295.408 0.296 20 10 CCCDRP C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(O)cc1O ZINC001204279174 803077394 /nfs/dbraw/zinc/07/73/94/803077394.db2.gz SDQIFTMZODCAAH-UHFFFAOYSA-N 2 0 279.384 0.777 20 10 CCCDRP O=C(NCc1ccccc1O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219923099 804448843 /nfs/dbraw/zinc/44/88/43/804448843.db2.gz BIRCBEZWRNAZRH-IUODEOHRSA-N 2 0 275.352 0.208 20 10 CCCDRP Cc1cc(C)c(CNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c(O)c1 ZINC001220825493 804673985 /nfs/dbraw/zinc/67/39/85/804673985.db2.gz JLSCYXLIXSPNTP-CYBMUJFWSA-N 2 0 289.379 0.434 20 10 CCCDRP C[C@]1([NH3+])CCN(Cc2cc3c(cc2O)OCC[NH2+]C3)C1 ZINC001204801942 814638670 /nfs/dbraw/zinc/63/86/70/814638670.db2.gz XLKHGZNTWLXFHG-HNNXBMFYSA-N 2 0 277.368 0.797 20 10 CCCDRP COc1cc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])cc(O)c1O ZINC001193113791 845982671 /nfs/dbraw/zinc/98/26/71/845982671.db2.gz COIDXJWBZZDCJV-UHFFFAOYSA-N 2 0 296.327 0.181 20 10 CCCDRP COc1ccc(O)c([C@@H](C)[NH2+]CCN2CC[NH2+]CC2)c1 ZINC000817944529 617274129 /nfs/dbraw/zinc/27/41/29/617274129.db2.gz GAWKEQPRPAHELF-GFCCVEGCSA-N 2 0 279.384 0.957 20 10 CCCDRP CC(C)[NH2+]CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000852791512 613944354 /nfs/dbraw/zinc/94/43/54/613944354.db2.gz ILPMYTPOKCIMNA-AWEZNQCLSA-N 2 0 278.400 0.867 20 10 CCCDRP CCOc1ccc(C[NH2+]CCN2CC[NH2+]CC2)c(O)c1 ZINC000841042603 615510990 /nfs/dbraw/zinc/51/09/90/615510990.db2.gz LOPZYFXIMAOXMW-UHFFFAOYSA-N 2 0 279.384 0.786 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@]2(F)CC[NH2+]C2)cc1 ZINC000841845848 616019135 /nfs/dbraw/zinc/01/91/35/616019135.db2.gz GCRXYEHSVNURCJ-DZGCQCFKSA-N 2 0 294.374 0.570 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)CC2CC([NH3+])C2)cc1 ZINC000911667944 616019440 /nfs/dbraw/zinc/01/94/40/616019440.db2.gz UVUXXASMFFCFIX-ABIUDSBCSA-N 2 0 290.411 0.996 20 10 CCCDRP Oc1cccc2c1[C@@H]([NH2+]CCN1CC[NH2+]CC1)CC2 ZINC000817945261 641281592 /nfs/dbraw/zinc/28/15/92/641281592.db2.gz YGTLCKKEWQYGHY-ZDUSSCGKSA-N 2 0 261.369 0.874 20 10 CCCDRP Cc1cc(N(C)C)ccc1C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000841091808 642803366 /nfs/dbraw/zinc/80/33/66/642803366.db2.gz GUJRXJANESHPTC-AWEZNQCLSA-N 2 0 251.374 0.812 20 10 CCCDRP [NH3+][C@@]12CC[C@@H]1CN(Cc1cc3c(cc1O)OCC[NH2+]C3)C2 ZINC001235991474 806524302 /nfs/dbraw/zinc/52/43/02/806524302.db2.gz OGTHVJHUJAWEHL-CZUORRHYSA-N 2 0 289.379 0.797 20 10 CCCDRP C[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001122414688 799227699 /nfs/dbraw/zinc/22/76/99/799227699.db2.gz VGPCTWJOBQPWLZ-RISCZKNCSA-N 2 0 278.400 0.819 20 10 CCCDRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001160924123 802047823 /nfs/dbraw/zinc/04/78/23/802047823.db2.gz CURORCSGZVGXDX-LBPRGKRZSA-N 2 0 293.367 0.439 20 10 CCCDRP [NH3+]CCCC[C@H]([NH3+])CC(=O)NCc1ccccc1O ZINC001219923627 804448346 /nfs/dbraw/zinc/44/83/46/804448346.db2.gz USINIQZWTYJVQK-LBPRGKRZSA-N 2 0 265.357 0.855 20 10 CCCDRP C[C@H]([NH3+])C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000169808995 819335680 /nfs/dbraw/zinc/33/56/80/819335680.db2.gz KHHMAISVFRYDLQ-LBPRGKRZSA-N 2 0 276.384 0.402 20 10 CCCDRP COc1ccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(O)c1 ZINC001206513050 843824746 /nfs/dbraw/zinc/82/47/46/843824746.db2.gz XNRZXKDSEGNJIQ-GWCFXTLKSA-N 2 0 252.314 0.152 20 10 CCCDRP C[C@@H]([NH3+])CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001331418479 917318481 /nfs/dbraw/zinc/31/84/81/917318481.db2.gz FMTFVLZNQKDAOP-CYBMUJFWSA-N 2 0 290.411 0.792 20 10 CCCDRP Nc1ccc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC001356082913 926341924 /nfs/dbraw/zinc/34/19/24/926341924.db2.gz HNHKPUJOQQYYJV-ZDUSSCGKSA-N 2 0 276.384 0.556 20 10 CCCDRP CCOc1cccc(CN2CC[NH2+]CC[NH2+]CC2)c1O ZINC000904398229 615516386 /nfs/dbraw/zinc/51/63/86/615516386.db2.gz OAPLSWXTZCJTEW-UHFFFAOYSA-N 2 0 279.384 0.786 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[NH2+]C2CC2)cc1 ZINC000841846861 616018988 /nfs/dbraw/zinc/01/89/88/616018988.db2.gz XKYDUCOWMKTYKO-AWEZNQCLSA-N 2 0 276.384 0.621 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000852790787 616019384 /nfs/dbraw/zinc/01/93/84/616019384.db2.gz BLIFVAQPAUNQIO-OBJOEFQTSA-N 2 0 276.384 0.606 20 10 CCCDRP C[C@@H](C[NH3+])NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000841063135 642801841 /nfs/dbraw/zinc/80/18/41/642801841.db2.gz ILOCGVUTUVRMAK-ZDUSSCGKSA-N 2 0 262.401 0.875 20 10 CCCDRP Cc1ccc(O)c(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235055253 806360183 /nfs/dbraw/zinc/36/01/83/806360183.db2.gz UEOHNGMQWPSWFD-OAHLLOKOSA-N 2 0 261.369 0.838 20 10 CCCDRP c1cc(N2CC[NH2+]CC2)ccc1CN1C[C@@H]2C[NH2+][C@@H]2C1 ZINC001236286033 806560043 /nfs/dbraw/zinc/56/00/43/806560043.db2.gz SDOBVIFROFBPDW-GOEBONIOSA-N 2 0 272.396 0.500 20 10 CCCDRP c1cc(N2CC[NH2+]CC2)ccc1CN1C[C@H]2C[NH2+][C@@H]2C1 ZINC001236286032 806560343 /nfs/dbraw/zinc/56/03/43/806560343.db2.gz SDOBVIFROFBPDW-GDBMZVCRSA-N 2 0 272.396 0.500 20 10 CCCDRP [NH3+]CCN(c1cccnc1)c1cc(C2C[NH2+]C2)ncn1 ZINC001158008024 801553593 /nfs/dbraw/zinc/55/35/93/801553593.db2.gz ZGJRXBFKDKHXLK-UHFFFAOYSA-N 2 0 270.340 0.655 20 10 CCCDRP [NH3+][C@@H]1C[C@@H](F)CN(Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001206425082 803240032 /nfs/dbraw/zinc/24/00/32/803240032.db2.gz UMSLAGZJAYLOLW-HUUCEWRRSA-N 2 0 292.402 0.967 20 10 CCCDRP C[C@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001251969648 807755243 /nfs/dbraw/zinc/75/52/43/807755243.db2.gz BQZRMVFJWVVFDI-ZDUSSCGKSA-N 2 0 263.385 0.909 20 10 CCCDRP COc1ccc(O)c(CN2CC[C@@H]([NH3+])[C@H](O)C2)c1 ZINC001205946165 847897825 /nfs/dbraw/zinc/89/78/25/847897825.db2.gz JMISTLACCBNFEM-DGCLKSJQSA-N 2 0 252.314 0.295 20 10 CCCDRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2ccc(O)c(O)c2)CC1 ZINC001205210515 897408014 /nfs/dbraw/zinc/40/80/14/897408014.db2.gz PGINJXQMIMEMEA-CQSZACIVSA-N 2 0 266.341 0.774 20 10 CCCDRP CC[NH2+][C@H](C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876506600 615128273 /nfs/dbraw/zinc/12/82/73/615128273.db2.gz MFYSQRPIGCOFIZ-RISCZKNCSA-N 2 0 278.400 0.867 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCC2C[NH2+]C2)cc1 ZINC000876506208 616018957 /nfs/dbraw/zinc/01/89/57/616018957.db2.gz HESGIGXITYWUOA-HNNXBMFYSA-N 2 0 290.411 0.868 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2([NH3+])CCC2)cc1 ZINC000841846205 616019278 /nfs/dbraw/zinc/01/92/78/616019278.db2.gz KVULALHFJGJCPE-CYBMUJFWSA-N 2 0 276.384 0.750 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@]2(C)CC[NH2+]C2)cc1 ZINC000841846262 616019699 /nfs/dbraw/zinc/01/96/99/616019699.db2.gz NOPAAGSSGWSXNV-ZBFHGGJFSA-N 2 0 290.411 0.868 20 10 CCCDRP C[C@H]([NH3+])CN(C)Cc1cc2c(cc1O)OCC[NH2+]C2 ZINC001236908437 806618781 /nfs/dbraw/zinc/61/87/81/806618781.db2.gz IXRKNFPBYXIYLF-JTQLQIEISA-N 2 0 265.357 0.653 20 10 CCCDRP CN1CCCc2cc(C[N@@H+]3C[C@H](O)[C@@H](C[NH3+])C3)ccc21 ZINC001206518701 803259027 /nfs/dbraw/zinc/25/90/27/803259027.db2.gz FLODVWKJHYDYTL-HOCLYGCPSA-N 2 0 275.396 0.820 20 10 CCCDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCc1ccccc1O ZINC001219923336 804448368 /nfs/dbraw/zinc/44/83/68/804448368.db2.gz IOWKJQYGAXXSCY-LBPRGKRZSA-N 2 0 265.357 0.725 20 10 CCCDRP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)CC[NH2+]1 ZINC001246076213 807142950 /nfs/dbraw/zinc/14/29/50/807142950.db2.gz YGJGFMFPEMAJHP-PUYPPJJSSA-N 2 0 266.341 0.861 20 10 CCCDRP Oc1ccc(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)c(O)c1 ZINC001246239635 807195498 /nfs/dbraw/zinc/19/54/98/807195498.db2.gz KJYSAULNKNUYPS-NSHDSACASA-N 2 0 263.341 0.281 20 10 CCCDRP CCOC(=O)CN(CC[NH3+])c1ccc2c(c1)C[NH2+]C2 ZINC001170993924 839674794 /nfs/dbraw/zinc/67/47/94/839674794.db2.gz DXRLIMCUDVUXAQ-UHFFFAOYSA-N 2 0 263.341 0.618 20 10 CCCDRP COc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(O)c1 ZINC001206465173 843627333 /nfs/dbraw/zinc/62/73/33/843627333.db2.gz XNRZXKDSEGNJIQ-GXFFZTMASA-N 2 0 252.314 0.152 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@]2(C)CC[NH2+]C2)cc1 ZINC000841846261 616019070 /nfs/dbraw/zinc/01/90/70/616019070.db2.gz NOPAAGSSGWSXNV-HOCLYGCPSA-N 2 0 290.411 0.868 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2=CC[C@@H]([NH3+])C2)cc1 ZINC000876506892 616019444 /nfs/dbraw/zinc/01/94/44/616019444.db2.gz PZFRWUZBVVDSNX-UKRRQHHQSA-N 2 0 288.395 0.916 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@H]2CC[NH2+]C2)cc1 ZINC000832272639 616019715 /nfs/dbraw/zinc/01/97/15/616019715.db2.gz HXVNHYCJDPYVAQ-IUODEOHRSA-N 2 0 290.411 0.868 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000843296612 616019803 /nfs/dbraw/zinc/01/98/03/616019803.db2.gz BLIFVAQPAUNQIO-MBNYWOFBSA-N 2 0 276.384 0.606 20 10 CCCDRP C[C@@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)[C@H](C)[NH3+] ZINC000841845644 642842565 /nfs/dbraw/zinc/84/25/65/642842565.db2.gz CEIDHMFLCNGUKC-SUNKGSAMSA-N 2 0 278.400 0.852 20 10 CCCDRP C[N@H+](CCC[NH3+])Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235435274 806422474 /nfs/dbraw/zinc/42/24/74/806422474.db2.gz GGCHGENFMJUSSO-UHFFFAOYSA-N 3 0 262.401 0.877 20 10 CCCDRP C[C@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832265930 799757124 /nfs/dbraw/zinc/75/71/24/799757124.db2.gz BXJYNYBWYUMKHQ-CABZTGNLSA-N 2 0 250.346 0.216 20 10 CCCDRP [NH3+][C@@H]1CCN(c2ccc([C@@H]3CC4(C[NH2+]C4)C(=O)N3)cc2)C1 ZINC001164281084 802704102 /nfs/dbraw/zinc/70/41/02/802704102.db2.gz QNKIJWQNEACZKH-OCCSQVGLSA-N 2 0 286.379 0.375 20 10 CCCDRP C[C@@H]1CN(Cc2ccc(N3CC[NH2+]CC3)cc2O)C[C@H]1[NH3+] ZINC001206070412 803201356 /nfs/dbraw/zinc/20/13/56/803201356.db2.gz IGWNZSIUSGEFKC-IUODEOHRSA-N 3 0 290.411 0.581 20 10 CCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1CN1C[C@H]2C[NH2+]C[C@H]21 ZINC001236290828 903977301 /nfs/dbraw/zinc/97/73/01/903977301.db2.gz LAUPDTJNMLBOHP-UKRRQHHQSA-N 2 0 288.395 0.205 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000841846237 616019001 /nfs/dbraw/zinc/01/90/01/616019001.db2.gz MQTTUDQYJGSDKA-KBPBESRZSA-N 2 0 276.384 0.621 20 10 CCCDRP CN(Cc1ccc(N2CC[NH+](C)CC2)cc1)C1C[NH2+]C1 ZINC000843124445 616247071 /nfs/dbraw/zinc/24/70/71/616247071.db2.gz ARSDNFJJCDNQQR-UHFFFAOYSA-N 2 0 274.412 0.842 20 10 CCCDRP COCC[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000884010066 616676626 /nfs/dbraw/zinc/67/66/26/616676626.db2.gz QKHYFVGXGMMOIU-UONOGXRCSA-N 2 0 294.399 0.232 20 10 CCCDRP Oc1cc2c(cc1CN1CC[NH2+]CC[NH2+]CC1)OCO2 ZINC000904398488 634745522 /nfs/dbraw/zinc/74/55/22/634745522.db2.gz QNQJKAAABJEBOQ-UHFFFAOYSA-N 2 0 279.340 0.116 20 10 CCCDRP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(N(C)C)cc1 ZINC000817946564 641282684 /nfs/dbraw/zinc/28/26/84/641282684.db2.gz ZPJZSDUPAJRPTD-CYBMUJFWSA-N 2 0 290.411 0.835 20 10 CCCDRP Oc1ccc([C@@H](O)C[NH2+]C2CC[NH2+]CC2)cc1O ZINC001246071636 807140672 /nfs/dbraw/zinc/14/06/72/807140672.db2.gz BAFHYJFKRPKHFE-ZDUSSCGKSA-N 2 0 252.314 0.473 20 10 CCCDRP [NH3+][C@H]1CN(Cc2ccc(N3CC[NH2+]CC3)cc2)CC[C@H]1F ZINC001235904882 806514973 /nfs/dbraw/zinc/51/49/73/806514973.db2.gz CBRSVMUUOHYPEW-CVEARBPZSA-N 2 0 292.402 0.967 20 10 CCCDRP [NH3+][C@@]12C[C@@H]1CN(Cc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001236027385 806531309 /nfs/dbraw/zinc/53/13/09/806531309.db2.gz OQJDMJPRFRIFCI-GDBMZVCRSA-N 2 0 272.396 0.629 20 10 CCCDRP C[NH+]1CCN(c2ccc(CN3C[C@H]4C[NH2+]C[C@H]43)cc2)CC1 ZINC001236284290 806559674 /nfs/dbraw/zinc/55/96/74/806559674.db2.gz HMUZCRYGFLEIGP-NVXWUHKLSA-N 2 0 286.423 0.842 20 10 CCCDRP CCc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(O)c1 ZINC001206481248 803251844 /nfs/dbraw/zinc/25/18/44/803251844.db2.gz QWCQKYAYPOMEQJ-GXTWGEPZSA-N 2 0 250.342 0.706 20 10 CCCDRP NC(=[NH2+])N(CCCC[NH3+])C(=O)Cc1ccc(N)cc1 ZINC001220103182 804500656 /nfs/dbraw/zinc/50/06/56/804500656.db2.gz JODFEYFWVRYHPY-UHFFFAOYSA-N 2 0 263.345 0.272 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]([NH3+])CC2CC2)cc1 ZINC000884010533 616019169 /nfs/dbraw/zinc/01/91/69/616019169.db2.gz FPVCZMONKWFGPD-CABCVRRESA-N 2 0 290.411 0.996 20 10 CCCDRP C[NH2+]C1CC(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000911667120 616935157 /nfs/dbraw/zinc/93/51/57/616935157.db2.gz NNQRNFGOOYVKTR-PIMMBPRGSA-N 2 0 290.411 0.867 20 10 CCCDRP Cc1cc(C[N@H+](C)C[C@H](O)C[NH3+])ccc1N(C)C ZINC000923367769 640105630 /nfs/dbraw/zinc/10/56/30/640105630.db2.gz XIVCKZZELFVZRG-CYBMUJFWSA-N 2 0 251.374 0.812 20 10 CCCDRP Cc1ccc(O)c([C@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)c1 ZINC000817945556 641281554 /nfs/dbraw/zinc/28/15/54/641281554.db2.gz GDCRQTURVPHZHP-LBPRGKRZSA-N 2 0 277.368 0.783 20 10 CCCDRP C[C@@H]([NH3+])CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832266866 642467624 /nfs/dbraw/zinc/46/76/24/642467624.db2.gz JWKLJARJCGYOFG-ZWNOBZJWSA-N 2 0 264.373 0.606 20 10 CCCDRP [NH3+]CCCCNC(=O)C[C@@H]([NH3+])c1ccccc1O ZINC001221347440 804785136 /nfs/dbraw/zinc/78/51/36/804785136.db2.gz LDGWHMNFWCQTEM-LLVKDONJSA-N 2 0 251.330 0.637 20 10 CCCDRP Oc1cc(O)c(C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c(O)c1 ZINC001222502850 804908160 /nfs/dbraw/zinc/90/81/60/804908160.db2.gz USZWNOWQSIEUOU-STQMWFEESA-N 2 0 293.367 0.329 20 10 CCCDRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2ccc(O)c(O)c2)CC1 ZINC001205210514 897410659 /nfs/dbraw/zinc/41/06/59/897410659.db2.gz PGINJXQMIMEMEA-AWEZNQCLSA-N 2 0 266.341 0.774 20 10 CCCDRP CN(C)c1ccc([C@H](CNC(=O)CC[NH3+])[NH+](C)C)cc1 ZINC001341622417 922587179 /nfs/dbraw/zinc/58/71/79/922587179.db2.gz LJUHKHZHYOCVLD-AWEZNQCLSA-N 2 0 278.400 0.820 20 10 CCCDRP CN(CC[NH3+])Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000841100488 616247097 /nfs/dbraw/zinc/24/70/97/616247097.db2.gz IZWCTOQLTPQRIM-UHFFFAOYSA-N 2 0 262.401 0.829 20 10 CCCDRP [NH3+]CCCOCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000863485303 645101186 /nfs/dbraw/zinc/10/11/86/645101186.db2.gz YQTGGIZOPKFVON-UHFFFAOYSA-N 2 0 293.411 0.978 20 10 CCCDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cc(O)c(O)cc1O ZINC001233485510 806062369 /nfs/dbraw/zinc/06/23/69/806062369.db2.gz ZCRIPBGXWLYDEN-UHFFFAOYSA-N 2 0 297.399 0.729 20 10 CCCDRP c1cc(N2CC[NH2+]CC2)ccc1CN1C[C@@H]2[NH2+]C[C@H]2C1 ZINC001236286035 806559810 /nfs/dbraw/zinc/55/98/10/806559810.db2.gz SDOBVIFROFBPDW-HOCLYGCPSA-N 2 0 272.396 0.500 20 10 CCCDRP C[NH+](C)CCN1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141155666 799984557 /nfs/dbraw/zinc/98/45/57/799984557.db2.gz DTFDOKABXOEINA-UHFFFAOYSA-N 2 0 279.384 0.777 20 10 CCCDRP [NH3+][C@H](C(=O)N1CCc2cccc(O)c2C1)C1CC[NH2+]CC1 ZINC001160872064 802036508 /nfs/dbraw/zinc/03/65/08/802036508.db2.gz GWJATUNQIJUMPM-HNNXBMFYSA-N 2 0 289.379 0.604 20 10 CCCDRP [NH3+][C@@H]1C[C@H](F)CN(Cc2cc3c(cc2O)OCC[NH2+]C3)C1 ZINC001206447123 803244746 /nfs/dbraw/zinc/24/47/46/803244746.db2.gz WRJDPSHTQBDEJS-QWHCGFSZSA-N 2 0 295.358 0.745 20 10 CCCDRP Oc1ccc(CN2CCNC[C@]23CC[NH2+]C3)c(O)c1 ZINC001234980089 816788092 /nfs/dbraw/zinc/78/80/92/816788092.db2.gz FPTDAVKMRNYZAM-CQSZACIVSA-N 2 0 263.341 0.235 20 10 CCCDRP [NH3+]CCN(CC[NH3+])Cc1c(O)cccc1Br ZINC001235878255 816928078 /nfs/dbraw/zinc/92/80/78/816928078.db2.gz WBDCJYMZXNZGRR-UHFFFAOYSA-N 2 0 288.189 0.874 20 10 CCCDRP C[NH2+]CCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001119374753 856658809 /nfs/dbraw/zinc/65/88/09/856658809.db2.gz HYWZFRUWALFDGB-UHFFFAOYSA-N 2 0 290.411 0.664 20 10 CCCDRP C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CC[NH2+]3)cc2)CC1 ZINC001349886047 925085653 /nfs/dbraw/zinc/08/56/53/925085653.db2.gz PQZMJDOVMXXXFL-OAHLLOKOSA-N 2 0 288.395 0.417 20 10 CCCDRP CN(C)c1ccc([C@H](CNC(=O)[C@H]2CC[NH2+]2)[NH+](C)C)cc1 ZINC001355639897 926296216 /nfs/dbraw/zinc/29/62/16/926296216.db2.gz LHNURMULJLWKRZ-CABCVRRESA-N 2 0 290.411 0.833 20 10 CCCDRP CCN(CCO)CC[NH2+]Cc1cc(OC)ccc1O ZINC000187569562 351546752 /nfs/dbraw/zinc/54/67/52/351546752.db2.gz UXAXRPJUWJUQKJ-UHFFFAOYSA-N 2 0 268.357 0.805 20 10 CCCDRP C[C@@H](CC(N)=O)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771844712 581829992 /nfs/dbraw/zinc/82/99/92/581829992.db2.gz ACYWKFFULFHJJJ-ZDUSSCGKSA-N 2 0 290.411 0.792 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CC2CC([NH3+])C2)cc1 ZINC000911667945 616019165 /nfs/dbraw/zinc/01/91/65/616019165.db2.gz UVUXXASMFFCFIX-HGMXIMQMSA-N 2 0 290.411 0.996 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000852792326 616019650 /nfs/dbraw/zinc/01/96/50/616019650.db2.gz VUXMNAMURBBJOO-QLFBSQMISA-N 2 0 290.411 0.996 20 10 CCCDRP COCC[C@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000884010064 616676563 /nfs/dbraw/zinc/67/65/63/616676563.db2.gz QKHYFVGXGMMOIU-KBPBESRZSA-N 2 0 294.399 0.232 20 10 CCCDRP COc1cccc(C[NH2+]CCN2CC[NH2+]CC2)c1O ZINC000083482281 638845087 /nfs/dbraw/zinc/84/50/87/638845087.db2.gz JIJVWAOEDOERDP-UHFFFAOYSA-N 2 0 265.357 0.396 20 10 CCCDRP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(N(C)C)cc1 ZINC000817946565 641283219 /nfs/dbraw/zinc/28/32/19/641283219.db2.gz ZPJZSDUPAJRPTD-ZDUSSCGKSA-N 2 0 290.411 0.835 20 10 CCCDRP C[NH+](C)CCN1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233482485 806059789 /nfs/dbraw/zinc/05/97/89/806059789.db2.gz PFMHBDVCCQPFTC-UHFFFAOYSA-N 2 0 295.383 0.483 20 10 CCCDRP Oc1cc2c(cc1CN1C[C@@H]3C[NH2+]C[C@@H]31)C[NH2+]CCO2 ZINC001236285997 806560142 /nfs/dbraw/zinc/56/01/42/806560142.db2.gz BOHZRDBKYKNFRJ-STQMWFEESA-N 2 0 275.352 0.278 20 10 CCCDRP C[C@@H]1CN(C(=O)C[C@@H]([NH3+])c2ccccc2O)CC[NH2+]1 ZINC001161017546 802063283 /nfs/dbraw/zinc/06/32/83/802063283.db2.gz QAYJMMKWDCEMOH-ZYHUDNBSSA-N 2 0 263.341 0.602 20 10 CCCDRP [NH3+]CC1CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001205053609 803116013 /nfs/dbraw/zinc/11/60/13/803116013.db2.gz RCFADKSTFXYCTM-UHFFFAOYSA-N 2 0 252.314 0.974 20 10 CCCDRP [NH3+]C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H]1O ZINC001206467861 803246956 /nfs/dbraw/zinc/24/69/56/803246956.db2.gz BZHXOQFTOWUMEW-GOEBONIOSA-N 2 0 291.395 0.275 20 10 CCCDRP [NH3+][C@@H](C(=O)NCc1ccccc1O)C1CC[NH2+]CC1 ZINC001219923481 804447942 /nfs/dbraw/zinc/44/79/42/804447942.db2.gz OOFKXWVESAWDFN-CYBMUJFWSA-N 2 0 263.341 0.335 20 10 CCCDRP [NH3+][C@H](C(=O)NCc1ccccc1O)C1CC[NH2+]CC1 ZINC001219923482 804448436 /nfs/dbraw/zinc/44/84/36/804448436.db2.gz OOFKXWVESAWDFN-ZDUSSCGKSA-N 2 0 263.341 0.335 20 10 CCCDRP [NH3+][C@@H]1CCN(Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001236171719 817134300 /nfs/dbraw/zinc/13/43/00/817134300.db2.gz VQFUVUDUBIIFAP-CQSZACIVSA-N 2 0 260.385 0.629 20 10 CCCDRP [NH3+]CCN(c1cccnc1)c1ncnc2c1C[NH2+]CC2 ZINC001168830862 836016630 /nfs/dbraw/zinc/01/66/30/836016630.db2.gz AMDYHKPDCWSEMU-UHFFFAOYSA-N 2 0 270.340 0.614 20 10 CCCDRP COc1ccc(O)c(CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000904396742 617272944 /nfs/dbraw/zinc/27/29/44/617272944.db2.gz OZPNMIFFNUGTAR-UHFFFAOYSA-N 2 0 265.357 0.396 20 10 CCCDRP CCO[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@H]1C[NH3+] ZINC000844906993 615417316 /nfs/dbraw/zinc/41/73/16/615417316.db2.gz XYIBRNNTKBLNPF-IAQYHMDHSA-N 2 0 294.351 0.917 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CC(C)(C)[NH3+])cc1 ZINC000841845590 616019113 /nfs/dbraw/zinc/01/91/13/616019113.db2.gz AMBIIGDWMREWNX-ZDUSSCGKSA-N 2 0 278.400 0.996 20 10 CCCDRP c1cc(N2CC[NH2+]CC2)ccc1CN1CCC2(C[NH2+]C2)C1 ZINC001235024460 806348091 /nfs/dbraw/zinc/34/80/91/806348091.db2.gz LZQOTZPXGHNESS-UHFFFAOYSA-N 3 0 286.423 0.892 20 10 CCCDRP COc1cccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1O ZINC001235994601 806525071 /nfs/dbraw/zinc/52/50/71/806525071.db2.gz YUODKEWKHREBSC-ONXXMXGDSA-N 2 0 278.352 0.806 20 10 CCCDRP CN(C)c1ccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c(O)c1 ZINC001235999338 806526451 /nfs/dbraw/zinc/52/64/51/806526451.db2.gz APORALNPDIVPHW-OCZCAGDBSA-N 2 0 291.395 0.864 20 10 CCCDRP [NH3+][C@H]1CCN(c2ccc([C@H]3CC4(C[NH2+]C4)C(=O)N3)cc2)C1 ZINC001164281082 802704011 /nfs/dbraw/zinc/70/40/11/802704011.db2.gz QNKIJWQNEACZKH-GXTWGEPZSA-N 2 0 286.379 0.375 20 10 CCCDRP CC1(C[NH3+])CN(Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001206723669 803282362 /nfs/dbraw/zinc/28/23/62/803282362.db2.gz RPSFTXLUJMAENK-UHFFFAOYSA-N 2 0 274.412 0.877 20 10 CCCDRP COc1ccc(O)c(C[NH2+]CC2([NH3+])CCOCC2)c1 ZINC000863482116 617273236 /nfs/dbraw/zinc/27/32/36/617273236.db2.gz TXISZGWDFSMHHA-UHFFFAOYSA-N 2 0 266.341 0.998 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCCC[NH3+])cc1 ZINC000832274107 616019294 /nfs/dbraw/zinc/01/92/94/616019294.db2.gz SKOGLWSKDRBFRM-CQSZACIVSA-N 2 0 278.400 0.998 20 10 CCCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3COCO3)cc2)CC1 ZINC000894875686 616247063 /nfs/dbraw/zinc/24/70/63/616247063.db2.gz IEOLYTDUUXIJQU-MRXNPFEDSA-N 2 0 291.395 0.901 20 10 CCCDRP COc1cccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1O ZINC000314639419 631015917 /nfs/dbraw/zinc/01/59/17/631015917.db2.gz WFDMLLVFHBZVKH-AWEZNQCLSA-N 2 0 291.395 0.880 20 10 CCCDRP Cc1cc(N(C)C)ccc1C[N@H+](C)C[C@H](O)C[NH3+] ZINC000841091809 642803164 /nfs/dbraw/zinc/80/31/64/642803164.db2.gz GUJRXJANESHPTC-CQSZACIVSA-N 2 0 251.374 0.812 20 10 CCCDRP Cc1ccc(O)c(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c1 ZINC000863647698 645114266 /nfs/dbraw/zinc/11/42/66/645114266.db2.gz CCQILYMNXMVERK-UHFFFAOYSA-N 2 0 274.324 0.945 20 10 CCCDRP C[C@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)CC[NH2+]1 ZINC001246185971 807180624 /nfs/dbraw/zinc/18/06/24/807180624.db2.gz YGJGFMFPEMAJHP-CHIMOYNISA-N 2 0 266.341 0.861 20 10 CCCDRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2cc(O)c(O)cc2O)CC1 ZINC001205240563 803129314 /nfs/dbraw/zinc/12/93/14/803129314.db2.gz LJXKBRFCYSRWHP-CQSZACIVSA-N 2 0 282.340 0.479 20 10 CCCDRP COc1cc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)c(O)cc1O ZINC001205240697 803130210 /nfs/dbraw/zinc/13/02/10/803130210.db2.gz NFAQSUAJMVFXCH-HNNXBMFYSA-N 2 0 296.367 0.782 20 10 CCCDRP COc1cc(CN2CC[C@H]([NH3+])C2)cc(C[NH+](C)C)c1O ZINC001236170660 817129758 /nfs/dbraw/zinc/12/97/58/817129758.db2.gz YULFDVWEEHNSOC-ZDUSSCGKSA-N 2 0 279.384 0.995 20 10 CCCDRP CC[NH+]1CCN(c2ccc(CNC(N)=[NH2+])cc2F)CC1 ZINC000264453693 521697004 /nfs/dbraw/zinc/69/70/04/521697004.db2.gz NKTQYFUALHCETQ-UHFFFAOYSA-N 2 0 279.363 0.951 20 10 CCCDRP COc1cc(O)c(C[NH2+]CCN2CC[NH2+]CC2)cc1OC ZINC000841043262 617207856 /nfs/dbraw/zinc/20/78/56/617207856.db2.gz QRZFYIUSVYTEIN-UHFFFAOYSA-N 2 0 295.383 0.404 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2([NH+](C)C)CC2)cc1 ZINC000911665816 616019174 /nfs/dbraw/zinc/01/91/74/616019174.db2.gz FGGDVWBWAFPORZ-AWEZNQCLSA-N 2 0 290.411 0.963 20 10 CCCDRP C[NH2+][C@@H](C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000848393550 617040666 /nfs/dbraw/zinc/04/06/66/617040666.db2.gz GSOMZJOXNUVXAA-GXFFZTMASA-N 2 0 264.373 0.477 20 10 CCCDRP O=C(C[NH2+][C@H]1CCc2cccc(O)c21)N1CC[NH2+]CC1 ZINC000817946203 641282954 /nfs/dbraw/zinc/28/29/54/641282954.db2.gz UHWPOUAGXYXDGR-LBPRGKRZSA-N 2 0 275.352 0.401 20 10 CCCDRP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCc2cccc(O)c2C1 ZINC001160872681 802037276 /nfs/dbraw/zinc/03/72/76/802037276.db2.gz PCWUFEODZLMUHH-ZDUSSCGKSA-N 2 0 277.368 0.733 20 10 CCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1CN1CCC[NH2+]CC1 ZINC001204675818 812361078 /nfs/dbraw/zinc/36/10/78/812361078.db2.gz ZFDFCQGWEMBTJK-UHFFFAOYSA-N 2 0 290.411 0.597 20 10 CCCDRP Cc1c(O)ccc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)c1O ZINC001222095605 804867867 /nfs/dbraw/zinc/86/78/67/804867867.db2.gz WPQRYOWUTMNKFZ-UHFFFAOYSA-N 2 0 291.395 0.934 20 10 CCCDRP CN(C)c1ccc(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246314753 807219723 /nfs/dbraw/zinc/21/97/23/807219723.db2.gz YCZBXZDNGCPLNW-AWEZNQCLSA-N 2 0 274.412 0.936 20 10 CCCDRP [NH3+]Cc1ccc2c(c1)N(C(=O)C1=CC[C@@H]([NH3+])C1)CCO2 ZINC000638807497 375380969 /nfs/dbraw/zinc/38/09/69/375380969.db2.gz KFFUEFBEMCIPSR-GFCCVEGCSA-N 2 0 273.336 0.918 20 10 CCCDRP CCOc1cccc(C[NH2+]CCN2CC[NH2+]CC2)c1O ZINC000841042203 615516826 /nfs/dbraw/zinc/51/68/26/615516826.db2.gz FQKZOTUZCMZMAP-UHFFFAOYSA-N 2 0 279.384 0.786 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2C[C@@H]2[NH3+])cc1 ZINC000832278926 616019003 /nfs/dbraw/zinc/01/90/03/616019003.db2.gz GPYIYVGGOVOECI-AGIUHOORSA-N 2 0 262.357 0.216 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2=CC[C@@H]([NH3+])C2)cc1 ZINC000876506891 616019056 /nfs/dbraw/zinc/01/90/56/616019056.db2.gz PZFRWUZBVVDSNX-HIFRSBDPSA-N 2 0 288.395 0.916 20 10 CCCDRP C[C@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)[NH+](C)C ZINC000876505894 646614062 /nfs/dbraw/zinc/61/40/62/646614062.db2.gz CHSRPGQVNRQKLC-RISCZKNCSA-N 2 0 278.400 0.819 20 10 CCCDRP [NH3+]C[C@H]1CCCN1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001236251270 806556937 /nfs/dbraw/zinc/55/69/37/806556937.db2.gz RKMSKJHORPKSEO-OAHLLOKOSA-N 2 0 290.411 0.725 20 10 CCCDRP Oc1ccc(F)cc1C[NH2+]CCCN1CC[NH2+]CC1 ZINC000841029245 800065279 /nfs/dbraw/zinc/06/52/79/800065279.db2.gz LAVYEMXFJAPLJP-UHFFFAOYSA-N 2 0 267.348 0.916 20 10 CCCDRP CCOc1ccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(O)c1 ZINC001206534758 803262972 /nfs/dbraw/zinc/26/29/72/803262972.db2.gz CBJGXDJHMUGOQQ-FZMZJTMJSA-N 2 0 266.341 0.542 20 10 CCCDRP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)Cc1ccc(N)cc1 ZINC001221390911 804798356 /nfs/dbraw/zinc/79/83/56/804798356.db2.gz IWKQVCMITMXOGH-UHFFFAOYSA-N 2 0 291.399 0.875 20 10 CCCDRP Nc1ccc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)cc1 ZINC001222099332 804867489 /nfs/dbraw/zinc/86/74/89/804867489.db2.gz AMGBTHFPVORPSD-UHFFFAOYSA-N 2 0 260.385 0.796 20 10 CCCDRP Oc1cc(O)c(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)cc1O ZINC001222100236 804870019 /nfs/dbraw/zinc/87/00/19/804870019.db2.gz ZESIWUCOCYPFPF-UHFFFAOYSA-N 2 0 293.367 0.331 20 10 CCCDRP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc(O)c(O)c2)CC[NH2+]1 ZINC001246076206 807142878 /nfs/dbraw/zinc/14/28/78/807142878.db2.gz YGJGFMFPEMAJHP-GLXFQSAKSA-N 2 0 266.341 0.861 20 10 CCCDRP c1cc(N2CC[NH2+]CC2)ccc1C[NH2+]C1CC[NH2+]CC1 ZINC001246171737 807175543 /nfs/dbraw/zinc/17/55/43/807175543.db2.gz CTMBKJKGDRZROL-UHFFFAOYSA-N 3 0 274.412 0.938 20 10 CCCDRP CN1CCN(c2ccc(C[NH2+]C[C@H](O)CO)cc2F)CC1 ZINC001256279816 808487908 /nfs/dbraw/zinc/48/79/08/808487908.db2.gz QGELZYUWWYRQTN-ZDUSSCGKSA-N 2 0 297.374 0.020 20 10 CCCDRP Cc1ccc(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1O ZINC001205960033 848070681 /nfs/dbraw/zinc/07/06/81/848070681.db2.gz YAKFCTQSITXOLT-CHWSQXEVSA-N 2 0 250.342 0.903 20 10 CCCDRP COc1ccc(O)c(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000385193706 853885890 /nfs/dbraw/zinc/88/58/90/853885890.db2.gz NVHZDUWNEJRPLD-AWEZNQCLSA-N 2 0 291.395 0.880 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2C[C@@H]2[NH3+])cc1 ZINC000832278927 616019652 /nfs/dbraw/zinc/01/96/52/616019652.db2.gz GPYIYVGGOVOECI-FRRDWIJNSA-N 2 0 262.357 0.216 20 10 CCCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3COC[C@@H]3O)cc2)CC1 ZINC000865667043 616247229 /nfs/dbraw/zinc/24/72/29/616247229.db2.gz SEKMGBWWXCBSEI-CVEARBPZSA-N 2 0 291.395 0.288 20 10 CCCDRP COc1ccc(O)c(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000314011065 623866697 /nfs/dbraw/zinc/86/66/97/623866697.db2.gz FLWZJJNSJFKBDR-AWEZNQCLSA-N 2 0 291.395 0.880 20 10 CCCDRP Cc1cccc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1O ZINC000843047954 642981447 /nfs/dbraw/zinc/98/14/47/642981447.db2.gz DERMXAIZXPHNCR-CQSZACIVSA-N 2 0 291.395 0.988 20 10 CCCDRP [NH3+]CCCOCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000863485239 645100944 /nfs/dbraw/zinc/10/09/44/645100944.db2.gz XJNKFELTIZKZQU-UHFFFAOYSA-N 2 0 268.313 0.576 20 10 CCCDRP [NH3+][C@@]12C[C@@H]1CN(Cc1ccc(N3CC[NH2+]CC3)cc1O)C2 ZINC001236031572 806532350 /nfs/dbraw/zinc/53/23/50/806532350.db2.gz XKCXASLJMSIYSM-CZUORRHYSA-N 2 0 288.395 0.335 20 10 CCCDRP [NH3+][C@@H]1CCN(Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001236171983 806546601 /nfs/dbraw/zinc/54/66/01/806546601.db2.gz FQDUAJGDVHJMAK-CYBMUJFWSA-N 3 0 276.384 0.335 20 10 CCCDRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001160924122 802048379 /nfs/dbraw/zinc/04/83/79/802048379.db2.gz CURORCSGZVGXDX-GFCCVEGCSA-N 2 0 293.367 0.439 20 10 CCCDRP C[C@@H]1CN(Cc2ccc(N3CC[NH2+]CC3)cc2)CC[NH2+]1 ZINC001206389243 803237848 /nfs/dbraw/zinc/23/78/48/803237848.db2.gz QGIWLTDWOFJYLE-CQSZACIVSA-N 2 0 274.412 0.890 20 10 CCCDRP Cc1cc(F)cc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206491741 803253329 /nfs/dbraw/zinc/25/33/29/803253329.db2.gz KWWFMSFRUDOAST-CMPLNLGQSA-N 2 0 254.305 0.591 20 10 CCCDRP [NH3+]C[C@H]1CN(Cc2c(O)ccc(F)c2Cl)C[C@H]1O ZINC001206492198 803253516 /nfs/dbraw/zinc/25/35/16/803253516.db2.gz RKACNKRJLZANKF-WRWORJQWSA-N 2 0 274.723 0.936 20 10 CCCDRP Cc1cc(F)cc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206535506 803263218 /nfs/dbraw/zinc/26/32/18/803263218.db2.gz KWWFMSFRUDOAST-JQWIXIFHSA-N 2 0 254.305 0.591 20 10 CCCDRP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)CC[NH2+]1 ZINC001246076214 807142987 /nfs/dbraw/zinc/14/29/87/807142987.db2.gz YGJGFMFPEMAJHP-UDZFHETQSA-N 2 0 266.341 0.861 20 10 CCCDRP CC1([NH3+])CN(Cc2cc3c(cc2O)OCC[NH2+]C3)C1 ZINC001204993873 814190193 /nfs/dbraw/zinc/19/01/93/814190193.db2.gz OHKFZKVFDIZEHA-UHFFFAOYSA-N 2 0 263.341 0.407 20 10 CCCDRP C[N@H+](CCN1CC[NH+](C)CC1)Cc1c(O)cc(O)cc1O ZINC001144514421 840073175 /nfs/dbraw/zinc/07/31/75/840073175.db2.gz CPPVQVXTLSQJQL-UHFFFAOYSA-N 2 0 295.383 0.483 20 10 CCCDRP COc1cccc(C[NH2+]CCOCCC[NH3+])c1O ZINC000863483535 617299717 /nfs/dbraw/zinc/29/97/17/617299717.db2.gz CHNHILPDEZUPIJ-UHFFFAOYSA-N 2 0 254.330 0.856 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)cc1 ZINC000843299737 616019083 /nfs/dbraw/zinc/01/90/83/616019083.db2.gz ZBRLWMHHFZGYDP-BEAPCOKYSA-N 2 0 288.395 0.619 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[C@H]([NH3+])C2CC2)cc1 ZINC000841846684 616019090 /nfs/dbraw/zinc/01/90/90/616019090.db2.gz SCAYDNOHFIGRTE-GJZGRUSLSA-N 2 0 290.411 0.996 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2=CC[C@H]([NH3+])C2)cc1 ZINC000876506893 616019132 /nfs/dbraw/zinc/01/91/32/616019132.db2.gz PZFRWUZBVVDSNX-ZFWWWQNUSA-N 2 0 288.395 0.916 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2[NH2+]CC2(C)C)cc1 ZINC000832274630 616019690 /nfs/dbraw/zinc/01/96/90/616019690.db2.gz WIKNRUIJLYHZPJ-ZIAGYGMSSA-N 2 0 290.411 0.867 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CN[C@H]2C[NH2+]CCOC2)cc1 ZINC000925693251 616019698 /nfs/dbraw/zinc/01/96/98/616019698.db2.gz QTRFBRANQYVDFD-DZGCQCFKSA-N 2 0 278.400 0.330 20 10 CCCDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3COC[C@H]3O)cc2)CC1 ZINC000830648825 616247008 /nfs/dbraw/zinc/24/70/08/616247008.db2.gz SEKMGBWWXCBSEI-HZPDHXFCSA-N 2 0 291.395 0.288 20 10 CCCDRP COc1ccc(O)c(C[NH2+]CCN2CC[NH2+]CC2)c1 ZINC000083482286 638845075 /nfs/dbraw/zinc/84/50/75/638845075.db2.gz FEGILCYWWXNOTF-UHFFFAOYSA-N 2 0 265.357 0.396 20 10 CCCDRP c1cc(C[NH2+]CCN2CC[NH2+]CC2)cc2c1OCC2 ZINC000083449258 649605001 /nfs/dbraw/zinc/60/50/01/649605001.db2.gz KYJXPEULNPIBIV-UHFFFAOYSA-N 2 0 261.369 0.616 20 10 CCCDRP C[C@H]1C[NH2+]CCN1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001235360333 806411342 /nfs/dbraw/zinc/41/13/42/806411342.db2.gz FBUYWEZQEAIGJX-ZDUSSCGKSA-N 2 0 290.411 0.596 20 10 CCCDRP c1cc(N2CC[NH2+]CC2)ccc1CN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001235415127 806419596 /nfs/dbraw/zinc/41/95/96/806419596.db2.gz ZTWJGEQDHKLXKT-HOCLYGCPSA-N 2 0 272.396 0.642 20 10 CCCDRP CN1CCCc2cc(CN(CC[NH3+])CC[NH3+])ccc21 ZINC001235878115 806513905 /nfs/dbraw/zinc/51/39/05/806513905.db2.gz ZYQDGIBJBMCPIC-UHFFFAOYSA-N 2 0 262.401 0.788 20 10 CCCDRP Cc1c(O)ccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1O ZINC001235994641 806526045 /nfs/dbraw/zinc/52/60/45/806526045.db2.gz OXGXKODQDKHNAP-ONXXMXGDSA-N 2 0 278.352 0.812 20 10 CCCDRP CCC1([NH3+])CN(Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001236186554 806546826 /nfs/dbraw/zinc/54/68/26/806546826.db2.gz OEYHTWRYVFYIJB-UHFFFAOYSA-N 2 0 290.411 0.725 20 10 CCCDRP Oc1cc2c(cc1CN1C[C@@H]3C[NH2+]C[C@H]31)C[NH2+]CCO2 ZINC001236285993 806559752 /nfs/dbraw/zinc/55/97/52/806559752.db2.gz BOHZRDBKYKNFRJ-QWHCGFSZSA-N 2 0 275.352 0.278 20 10 CCCDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCc2cccc(O)c2C1 ZINC001160872919 802036332 /nfs/dbraw/zinc/03/63/32/802036332.db2.gz QCDXEDIQPVGWDM-AWEZNQCLSA-N 2 0 291.395 0.994 20 10 CCCDRP C[NH+](C)CCN1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204272604 803074625 /nfs/dbraw/zinc/07/46/25/803074625.db2.gz RFGLHURWQSATNZ-UHFFFAOYSA-N 2 0 279.384 0.777 20 10 CCCDRP COc1cc(CN2C[C@@H](F)[C@@H]([NH3+])C2)cc(C[NH+](C)C)c1O ZINC001204822515 803102363 /nfs/dbraw/zinc/10/23/63/803102363.db2.gz AWSOVJMZRLRTDM-OLZOCXBDSA-N 2 0 297.374 0.943 20 10 CCCDRP c1cc(N2CC[NH2+]CC2)ccc1OC[C@H]1C[NH2+]CCO1 ZINC001218178018 803934032 /nfs/dbraw/zinc/93/40/32/803934032.db2.gz TYROUVOJZWELJX-OAHLLOKOSA-N 2 0 277.368 0.463 20 10 CCCDRP C[C@@H]1C[C@@H](NCc2ccc(N3CC[NH2+]CC3)cc2)C[NH2+]1 ZINC001246174318 807175603 /nfs/dbraw/zinc/17/56/03/807175603.db2.gz OJDGIQVRAITCHV-UKRRQHHQSA-N 2 0 274.412 0.936 20 10 CCCDRP Cc1cccc(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)c1O ZINC001246343175 807227409 /nfs/dbraw/zinc/22/74/09/807227409.db2.gz AXLUSBXWXGBWKK-ZDUSSCGKSA-N 2 0 261.369 0.884 20 10 CCCDRP C[NH+]1CCC(O)(C[NH2+]Cc2ccccc2O)CC1 ZINC000077450327 349110445 /nfs/dbraw/zinc/11/04/45/349110445.db2.gz NJAQOPWVHBTWPW-UHFFFAOYSA-N 2 0 250.342 0.939 20 10 CCCDRP C[NH+]1CCN(c2ccc(C[NH2+]CCC(N)=O)cc2)CC1 ZINC000757888414 581712983 /nfs/dbraw/zinc/71/29/83/581712983.db2.gz IJWIINOKXRZJIW-UHFFFAOYSA-N 2 0 276.384 0.403 20 10 CCCDRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccccc1O ZINC000843357210 616068323 /nfs/dbraw/zinc/06/83/23/616068323.db2.gz CGRNULYJCJOTPI-UHFFFAOYSA-N 2 0 277.368 0.646 20 10 CCCDRP C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)C[NH3+] ZINC000923366317 616167288 /nfs/dbraw/zinc/16/72/88/616167288.db2.gz LCKXNIRDJHJVGX-HNNXBMFYSA-N 2 0 279.384 0.275 20 10 CCCDRP COCC[NH2+]CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832265908 616507231 /nfs/dbraw/zinc/50/72/31/616507231.db2.gz BGWUVHUVXBVIIL-CQSZACIVSA-N 2 0 294.399 0.105 20 10 CCCDRP COCC[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000884010065 616636608 /nfs/dbraw/zinc/63/66/08/616636608.db2.gz QKHYFVGXGMMOIU-KGLIPLIRSA-N 2 0 294.399 0.232 20 10 CCCDRP C[NH2+]CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832267581 616937108 /nfs/dbraw/zinc/93/71/08/616937108.db2.gz WNMYDSJAVDLANH-GFCCVEGCSA-N 2 0 250.346 0.088 20 10 CCCDRP C[NH2+]C[C@@H](C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841845650 616973869 /nfs/dbraw/zinc/97/38/69/616973869.db2.gz CGSIQOSYZGZANZ-RISCZKNCSA-N 2 0 278.400 0.724 20 10 CCCDRP CO[C@H](C[NH3+])CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832273466 617082796 /nfs/dbraw/zinc/08/27/96/617082796.db2.gz OEEFGIZLDCDRJT-KBPBESRZSA-N 2 0 294.399 0.232 20 10 CCCDRP COc1ccc(O)c(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000314011066 630796029 /nfs/dbraw/zinc/79/60/29/630796029.db2.gz FLWZJJNSJFKBDR-CQSZACIVSA-N 2 0 291.395 0.880 20 10 CCCDRP Cc1cccc(O)c1C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235065787 806368228 /nfs/dbraw/zinc/36/82/28/806368228.db2.gz YYLCQSJPNFXSEQ-HNNXBMFYSA-N 2 0 261.369 0.838 20 10 CCCDRP COc1cc(CN2C[C@H]3C[NH2+]C[C@@H]32)cc(C[NH+](C)C)c1O ZINC001236283081 806558085 /nfs/dbraw/zinc/55/80/85/806558085.db2.gz FCIJVLFJQVOGSE-KGLIPLIRSA-N 2 0 291.395 0.866 20 10 CCCDRP [NH3+][C@H]1CCN(c2ccc(CN3CC[NH2+]CC3)cc2)C1 ZINC001164281478 802705351 /nfs/dbraw/zinc/70/53/51/802705351.db2.gz DQCZQNRHYGNDNM-AWEZNQCLSA-N 2 0 260.385 0.629 20 10 CCCDRP Oc1cccc(F)c1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235869372 816925720 /nfs/dbraw/zinc/92/57/20/816925720.db2.gz BPGZPNSHQIKEOK-UHFFFAOYSA-N 2 0 296.390 0.116 20 10 CCCDRP Cc1c(O)ccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206524995 843859712 /nfs/dbraw/zinc/85/97/12/843859712.db2.gz FQXDTPUWJUVNRI-JQWIXIFHSA-N 2 0 252.314 0.158 20 10 CCCDRP C[NH+](C)CCN1CC[N@H+](Cc2ccccc2O)CCC1=O ZINC001203558705 897833672 /nfs/dbraw/zinc/83/36/72/897833672.db2.gz XDHOZBVOUAPJBQ-UHFFFAOYSA-N 2 0 291.395 0.988 20 10 CCCDRP C[NH+]1CCN(c2ccc(CN[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2)CC1 ZINC001327431093 914539382 /nfs/dbraw/zinc/53/93/82/914539382.db2.gz MCLBHNKIFLNBPI-FVQHAEBGSA-N 3 0 286.423 0.746 20 10 CCCDRP COc1ccc(O)c(C[NH2+]CCCN2CC[NH2+]CC2)c1 ZINC000841031135 617273080 /nfs/dbraw/zinc/27/30/80/617273080.db2.gz WRJFXCPBDSIQOQ-UHFFFAOYSA-N 2 0 279.384 0.786 20 10 CCCDRP COc1cccc(O)c1C[NH2+]CCN1CC[NH2+]CC1 ZINC000841043858 617305377 /nfs/dbraw/zinc/30/53/77/617305377.db2.gz XTIHCTHLYJMVON-UHFFFAOYSA-N 2 0 265.357 0.396 20 10 CCCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3COCO3)cc2)CC1 ZINC000894875684 616247055 /nfs/dbraw/zinc/24/70/55/616247055.db2.gz IEOLYTDUUXIJQU-INIZCTEOSA-N 2 0 291.395 0.901 20 10 CCCDRP C[C@H](C[NH3+])C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832279895 642467031 /nfs/dbraw/zinc/46/70/31/642467031.db2.gz MJUDACOOUTUHCD-ZWNOBZJWSA-N 2 0 264.373 0.463 20 10 CCCDRP [NH3+]CCN(CC[NH3+])Cc1cc(F)c(Cl)cc1O ZINC001235881512 806513412 /nfs/dbraw/zinc/51/34/12/806513412.db2.gz ZOUWUBPDDZOKIV-UHFFFAOYSA-N 2 0 261.728 0.904 20 10 CCCDRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2cc(O)ccc2O)CC1 ZINC001205228652 803127226 /nfs/dbraw/zinc/12/72/26/803127226.db2.gz GYSIYUYDQPTQCE-CQSZACIVSA-N 2 0 266.341 0.774 20 10 CCCDRP F[C@H]1C[NH2+]C[C@@H]1Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218016408 803928431 /nfs/dbraw/zinc/92/84/31/803928431.db2.gz FEMSPHPZVTWXFT-KBPBESRZSA-N 2 0 265.332 0.785 20 10 CCCDRP O=C(NCc1ccccc1O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001219923514 804448769 /nfs/dbraw/zinc/44/87/69/804448769.db2.gz PVKJTSLXBOOURV-CYBMUJFWSA-N 2 0 289.379 0.883 20 10 CCCDRP c1cc(N2CC[NH2+]CC2)ccc1CN1CCC12C[NH2+]C2 ZINC001222303641 804888841 /nfs/dbraw/zinc/88/88/41/804888841.db2.gz PKZMSPADMZBJJB-UHFFFAOYSA-N 2 0 272.396 0.644 20 10 CCCDRP C[C@@H]1C[NH2+]CCN(Cc2cc3c(cc2O)OCC[NH2+]C3)C1 ZINC001206277621 842384843 /nfs/dbraw/zinc/38/48/43/842384843.db2.gz VSJKKDOZHYCLHD-GFCCVEGCSA-N 2 0 291.395 0.916 20 10 CCCDRP Cc1ccc(O)c([C@@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)c1 ZINC000817945555 641281773 /nfs/dbraw/zinc/28/17/73/641281773.db2.gz GDCRQTURVPHZHP-GFCCVEGCSA-N 2 0 277.368 0.783 20 10 CCCDRP [NH3+]Cc1ccc2c(c1)CCCN2C[C@@H]1C[NH2+]CCO1 ZINC000852740922 643992765 /nfs/dbraw/zinc/99/27/65/643992765.db2.gz KZBPZLBZEGRRQY-AWEZNQCLSA-N 2 0 261.369 0.886 20 10 CCCDRP Cc1cccc(CN2CC[NH2+]CCNCC[NH2+]CC2)c1O ZINC001235870560 806512209 /nfs/dbraw/zinc/51/22/09/806512209.db2.gz KGOJAKOYXKSFEI-UHFFFAOYSA-N 2 0 292.427 0.285 20 10 CCCDRP COc1cc(CN2C[C@H]3C[NH2+]C[C@H]32)cc(C[NH+](C)C)c1O ZINC001236283083 806558070 /nfs/dbraw/zinc/55/80/70/806558070.db2.gz FCIJVLFJQVOGSE-ZIAGYGMSSA-N 2 0 291.395 0.866 20 10 CCCDRP c1cc(N2CC[NH2+]CC2)ccc1OC[C@H]1C[NH2+]CCCO1 ZINC001218301906 803946609 /nfs/dbraw/zinc/94/66/09/803946609.db2.gz IQAWDGKXYJGKOD-MRXNPFEDSA-N 2 0 291.395 0.854 20 10 CCCDRP COc1ccc(O)c(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)c1 ZINC001222086085 804865605 /nfs/dbraw/zinc/86/56/05/804865605.db2.gz RVYXZTXNNOQJEG-UHFFFAOYSA-N 2 0 291.395 0.928 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[NH+](C)C)cc1 ZINC000832278896 615865001 /nfs/dbraw/zinc/86/50/01/615865001.db2.gz FTKTWOBWVDZFRK-CYBMUJFWSA-N 2 0 264.373 0.430 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2([NH3+])CC2)cc1 ZINC000843297835 616019414 /nfs/dbraw/zinc/01/94/14/616019414.db2.gz KYLIXCKYLXRTNV-GFCCVEGCSA-N 2 0 262.357 0.360 20 10 CCCDRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841846076 642842065 /nfs/dbraw/zinc/84/20/65/642842065.db2.gz JPJZLWGLTORAHL-CQDKDKBSSA-N 2 0 290.411 0.867 20 10 CCCDRP [NH3+]C1(C[NH2+]Cc2cc3c(cc2O)OCO3)CCOCC1 ZINC000863482112 645098635 /nfs/dbraw/zinc/09/86/35/645098635.db2.gz TUPVRQGWNDMFSZ-UHFFFAOYSA-N 2 0 280.324 0.718 20 10 CCCDRP C[C@@H](O)[C@@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000865738860 645408793 /nfs/dbraw/zinc/40/87/93/645408793.db2.gz KXKORXMRXPDGFT-CJNGLKHVSA-N 2 0 293.411 0.270 20 10 CCCDRP C[C@H]1C[NH2+]CCN1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235362964 806414707 /nfs/dbraw/zinc/41/47/07/806414707.db2.gz SZSCNDXCODXXBY-AWEZNQCLSA-N 2 0 274.412 0.890 20 10 CCCDRP [NH3+]CCN(CC[NH3+])Cc1cc(Br)ccc1O ZINC001235877680 806513237 /nfs/dbraw/zinc/51/32/37/806513237.db2.gz SPBLBTDXLOOYHV-UHFFFAOYSA-N 2 0 288.189 0.874 20 10 CCCDRP CCN(CC)c1ccc(CN(CC[NH3+])CC[NH3+])c(O)c1 ZINC001235877983 806513639 /nfs/dbraw/zinc/51/36/39/806513639.db2.gz QRGHKZQTVLSVGB-UHFFFAOYSA-N 2 0 280.416 0.958 20 10 CCCDRP [NH3+][C@]12CC[C@H]1CN(Cc1cc3c(cc1O)OCC[NH2+]C3)C2 ZINC001235991466 806524340 /nfs/dbraw/zinc/52/43/40/806524340.db2.gz OGTHVJHUJAWEHL-BBRMVZONSA-N 2 0 289.379 0.797 20 10 CCCDRP [NH3+][C@]12C[C@H]1CN(Cc1cc3c(cc1O)OCC[NH2+]C3)C2 ZINC001236027726 806530747 /nfs/dbraw/zinc/53/07/47/806530747.db2.gz OFWSMVOHPLUFCV-WFASDCNBSA-N 2 0 275.352 0.407 20 10 CCCDRP C[NH2+][C@H]1CCN1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236167041 806544733 /nfs/dbraw/zinc/54/47/33/806544733.db2.gz LOPLZBUTXZIJKI-OAHLLOKOSA-N 2 0 260.385 0.847 20 10 CCCDRP [NH3+][C@H](CC(=O)N1C[C@@H](F)[C@@H]([NH3+])C1)c1ccccc1O ZINC001157538815 801410209 /nfs/dbraw/zinc/41/02/09/801410209.db2.gz SBOYADHKRASUGV-MXWKQRLJSA-N 2 0 267.304 0.290 20 10 CCCDRP Cc1cc(C)c(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(O)c1 ZINC001206530951 803261943 /nfs/dbraw/zinc/26/19/43/803261943.db2.gz XVHVSXNHKSPCOB-FZMZJTMJSA-N 2 0 250.342 0.760 20 10 CCCDRP CN(C)c1ccc(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246314756 807219604 /nfs/dbraw/zinc/21/96/04/807219604.db2.gz YCZBXZDNGCPLNW-CQSZACIVSA-N 2 0 274.412 0.936 20 10 CCCDRP CC1([NH3+])CN(Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001204979631 814091640 /nfs/dbraw/zinc/09/16/40/814091640.db2.gz GZMWNBHITCEIEN-UHFFFAOYSA-N 2 0 260.385 0.629 20 10 CCCDRP COc1cc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)cc(O)c1O ZINC001205210097 897397714 /nfs/dbraw/zinc/39/77/14/897397714.db2.gz MODJWOYAXNJAMP-OAHLLOKOSA-N 2 0 296.367 0.782 20 10 CCCDRP CN(C)c1ccc([C@@H](CNC(=O)C2([NH3+])CC2)[NH+](C)C)cc1 ZINC001341512429 922526630 /nfs/dbraw/zinc/52/66/30/922526630.db2.gz CCJKFGOYDZYNJQ-CQSZACIVSA-N 2 0 290.411 0.963 20 10 CCCDRP C[NH2+]CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001345637521 923936716 /nfs/dbraw/zinc/93/67/16/923936716.db2.gz MJCWLSGISXFTSQ-AWEZNQCLSA-N 2 0 278.400 0.691 20 10 CCCDRP [NH3+][C@H]1CC=C(C(=O)N2C[C@H]([NH3+])Cc3ccccc32)C1 ZINC000638350524 374949189 /nfs/dbraw/zinc/94/91/89/374949189.db2.gz KPPLEWKIUQVWED-QWHCGFSZSA-N 2 0 257.337 0.951 20 10 CCCDRP [NH3+]Cc1ccc2c(c1)N(C(=O)C1=CC[C@H]([NH3+])C1)CCO2 ZINC000638807498 375381019 /nfs/dbraw/zinc/38/10/19/375381019.db2.gz KFFUEFBEMCIPSR-LBPRGKRZSA-N 2 0 273.336 0.918 20 10 CCCDRP Oc1ccccc1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000311587520 623765426 /nfs/dbraw/zinc/76/54/26/623765426.db2.gz FPXZYALZUQHXHU-CQSZACIVSA-N 2 0 261.369 0.872 20 10 CCCDRP Cc1ccc(O)c(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000071409441 638573784 /nfs/dbraw/zinc/57/37/84/638573784.db2.gz NUYOLJLTRIHSRN-UHFFFAOYSA-N 2 0 277.368 0.564 20 10 CCCDRP [NH3+][C@@]12C[C@@H]1CCN(Cc1cc3c(cc1O)OCC[NH2+]C3)C2 ZINC001235171784 806381223 /nfs/dbraw/zinc/38/12/23/806381223.db2.gz FGLAZJSYISQGSN-XJKSGUPXSA-N 2 0 289.379 0.797 20 10 CCCDRP COc1cc(CN2C[C@H]3COC[C@@H](C2)C3[NH3+])cc(O)c1O ZINC001235990662 806521955 /nfs/dbraw/zinc/52/19/55/806521955.db2.gz ADCOZQLEDHKEEB-BVUQATHDSA-N 2 0 294.351 0.512 20 10 CCCDRP C[C@H]1C[N@H+](Cc2c(O)cc(O)cc2O)C[C@H]1C[NH3+] ZINC001205146511 803120906 /nfs/dbraw/zinc/12/09/06/803120906.db2.gz YBZWNQMOPKPKFM-DTWKUNHWSA-N 2 0 252.314 0.830 20 10 CCCDRP C[NH2+]C1CN(Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001204706417 814995207 /nfs/dbraw/zinc/99/52/07/814995207.db2.gz KUYYQWABEHNPHD-UHFFFAOYSA-N 2 0 260.385 0.500 20 10 CCCDRP Cc1cc(C)c(CNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c(O)c1 ZINC001220825494 804674086 /nfs/dbraw/zinc/67/40/86/804674086.db2.gz JLSCYXLIXSPNTP-ZDUSSCGKSA-N 2 0 289.379 0.434 20 10 CCCDRP C[N@H+](Cc1ccccc1O)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246862595 807411697 /nfs/dbraw/zinc/41/16/97/807411697.db2.gz LOOZLRFOUAZGRJ-ZDUSSCGKSA-N 2 0 261.369 0.918 20 10 CCCDRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001205239438 897707922 /nfs/dbraw/zinc/70/79/22/897707922.db2.gz BFIZMKCCGMUBGZ-CQSZACIVSA-N 2 0 282.340 0.479 20 10 CCCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@](C)(O)CO)cc2)CC1 ZINC000794748033 581386813 /nfs/dbraw/zinc/38/68/13/581386813.db2.gz GIDUUKCCTBWWTH-INIZCTEOSA-N 2 0 293.411 0.271 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CSCN2)cc1 ZINC000841846208 616019761 /nfs/dbraw/zinc/01/97/61/616019761.db2.gz KYSPTIWRMUKPIX-CHWSQXEVSA-N 2 0 294.424 0.531 20 10 CCCDRP C[N@H+](CCN1CC[NH2+]CC1)Cc1cc(F)ccc1O ZINC000219929242 616088439 /nfs/dbraw/zinc/08/84/39/616088439.db2.gz SZUIAVCPYLMOPJ-UHFFFAOYSA-N 2 0 267.348 0.868 20 10 CCCDRP c1cc(N2CC[NH2+]CC2)ccc1CN1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235027210 806346819 /nfs/dbraw/zinc/34/68/19/806346819.db2.gz XMXUGCPNMOFYIR-DOTOQJQBSA-N 3 0 286.423 0.890 20 10 CCCDRP [NH3+][C@H]1CCN(Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001236171990 806546795 /nfs/dbraw/zinc/54/67/95/806546795.db2.gz FQDUAJGDVHJMAK-ZDUSSCGKSA-N 3 0 276.384 0.335 20 10 CCCDRP C[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832265932 799756831 /nfs/dbraw/zinc/75/68/31/799756831.db2.gz BXJYNYBWYUMKHQ-SKDRFNHKSA-N 2 0 250.346 0.216 20 10 CCCDRP C[C@@H]1[C@H]([NH3+])CCN1Cc1ccc(N2CC[NH2+]CC2)cc1O ZINC001205197311 803125108 /nfs/dbraw/zinc/12/51/08/803125108.db2.gz KTGBDLIDPPMGPA-IUODEOHRSA-N 2 0 290.411 0.723 20 10 CCCDRP [NH3+][C@H]1C[C@H](F)CN(Cc2cc3c(cc2O)OCC[NH2+]C3)C1 ZINC001206447125 803245030 /nfs/dbraw/zinc/24/50/30/803245030.db2.gz WRJDPSHTQBDEJS-STQMWFEESA-N 2 0 295.358 0.745 20 10 CCCDRP CCOc1cccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206464601 803247103 /nfs/dbraw/zinc/24/71/03/803247103.db2.gz QWUYJOWFJCJQDS-NWDGAFQWSA-N 2 0 266.341 0.542 20 10 CCCDRP [NH3+][C@@H]1CCN(c2ccc(CN3CC[NH2+]CC3)cc2)C1 ZINC001164281479 820758773 /nfs/dbraw/zinc/75/87/73/820758773.db2.gz DQCZQNRHYGNDNM-CQSZACIVSA-N 2 0 260.385 0.629 20 10 CCCDRP C[C@@H]1CN(Cc2ccc(N3CC[NH2+]CC3)cc2)C[C@H]1[NH3+] ZINC001206065464 838019773 /nfs/dbraw/zinc/01/97/73/838019773.db2.gz WULMAUCVTVACHQ-CZUORRHYSA-N 2 0 274.412 0.875 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2CC[NH2+]CC2)cc1 ZINC000832285739 616019377 /nfs/dbraw/zinc/01/93/77/616019377.db2.gz SVHNBRJTFGUDHL-OAHLLOKOSA-N 2 0 290.411 0.868 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)cc1 ZINC000843299738 616019771 /nfs/dbraw/zinc/01/97/71/616019771.db2.gz ZBRLWMHHFZGYDP-NGFQHRJXSA-N 2 0 288.395 0.619 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000841846240 616019798 /nfs/dbraw/zinc/01/97/98/616019798.db2.gz MQTTUDQYJGSDKA-ZIAGYGMSSA-N 2 0 276.384 0.621 20 10 CCCDRP C[C@@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)[NH+](C)C ZINC000844162425 643164967 /nfs/dbraw/zinc/16/49/67/643164967.db2.gz CHSRPGQVNRQKLC-FZMZJTMJSA-N 2 0 278.400 0.819 20 10 CCCDRP COc1ccc(O)c(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1 ZINC001235992640 806523823 /nfs/dbraw/zinc/52/38/23/806523823.db2.gz KMVYDCQSCFKDNQ-ODOQXGPZSA-N 2 0 278.352 0.806 20 10 CCCDRP C[C@H]([NH3+])CN(C)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236899003 806617980 /nfs/dbraw/zinc/61/79/80/806617980.db2.gz FRXKIDIICRCLQF-ZDUSSCGKSA-N 2 0 262.401 0.875 20 10 CCCDRP C[C@]1([NH3+])CCN(Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001204792599 803101358 /nfs/dbraw/zinc/10/13/58/803101358.db2.gz WPHMMRYKARJUNL-INIZCTEOSA-N 2 0 290.411 0.725 20 10 CCCDRP [NH3+]CC1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001205046704 803116818 /nfs/dbraw/zinc/11/68/18/803116818.db2.gz JATITNLWYDUSKH-UHFFFAOYSA-N 2 0 252.314 0.974 20 10 CCCDRP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001205681752 803155203 /nfs/dbraw/zinc/15/52/03/803155203.db2.gz NIABWEQCYRGJPO-AWEZNQCLSA-N 2 0 266.341 0.774 20 10 CCCDRP CC[NH+]1CCN(c2ccc(CNC(=O)C[NH3+])cc2F)CC1 ZINC000269292974 352830914 /nfs/dbraw/zinc/83/09/14/352830914.db2.gz MDEDDLSMGFLIOU-UHFFFAOYSA-N 2 0 294.374 0.543 20 10 CCCDRP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841846089 614116898 /nfs/dbraw/zinc/11/68/98/614116898.db2.gz JQQFLMWKZFXWGP-ZIAGYGMSSA-N 2 0 278.400 0.852 20 10 CCCDRP CCOc1ccc(C[N@H+](C)C[C@@H](O)C[NH3+])c(O)c1 ZINC000841091626 615510014 /nfs/dbraw/zinc/51/00/14/615510014.db2.gz CFFKXIRNOBQHOD-NSHDSACASA-N 2 0 254.330 0.542 20 10 CCCDRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841845643 642842558 /nfs/dbraw/zinc/84/25/58/642842558.db2.gz CEIDHMFLCNGUKC-MJVIPROJSA-N 2 0 278.400 0.852 20 10 CCCDRP [NH3+]C[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000843048745 642980512 /nfs/dbraw/zinc/98/05/12/642980512.db2.gz VUEUFLVEIIMBQW-SECBINFHSA-N 2 0 250.298 0.902 20 10 CCCDRP CN(CCN1CC[NH+](C)CC1)Cc1cc(O)c(O)c(O)c1 ZINC001233017747 806009600 /nfs/dbraw/zinc/00/96/00/806009600.db2.gz ZYHWUQWUXZOXEX-UHFFFAOYSA-N 2 0 295.383 0.483 20 10 CCCDRP c1cc(N2CC[NH2+]CC2)ccc1CN1C[C@H]2C[C@@H](C1)[NH2+]2 ZINC001235415174 806420784 /nfs/dbraw/zinc/42/07/84/806420784.db2.gz RPYCVZJSUPHGBS-GASCZTMLSA-N 2 0 272.396 0.642 20 10 CCCDRP C[N@H+](CCN1CC[NH+](C)CC1)Cc1cc(O)ccc1O ZINC001141161742 811825134 /nfs/dbraw/zinc/82/51/34/811825134.db2.gz WOGNBJNNVVKGEO-UHFFFAOYSA-N 2 0 279.384 0.777 20 10 CCCDRP C[C@H]1CN(Cc2cc3c(cc2O)OCC[NH2+]C3)CC[NH2+]1 ZINC001206396423 899990407 /nfs/dbraw/zinc/99/04/07/899990407.db2.gz LAVSWDZJJHPLCF-NSHDSACASA-N 2 0 277.368 0.668 20 10 CCCDRP C[NH2+][C@@H](C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001353147998 925741221 /nfs/dbraw/zinc/74/12/21/925741221.db2.gz WJGUIMQLMTZNMX-ZDUSSCGKSA-N 2 0 290.411 0.663 20 10 CCCDRP C[C@H](CC(N)=O)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771844702 581829701 /nfs/dbraw/zinc/82/97/01/581829701.db2.gz ACYWKFFULFHJJJ-CYBMUJFWSA-N 2 0 290.411 0.792 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C23CC(C2)C[NH2+]3)cc1 ZINC000911667099 616018938 /nfs/dbraw/zinc/01/89/38/616018938.db2.gz MUPJXYLARWRUCF-WMEQCIOUSA-N 2 0 288.395 0.621 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2[NH2+]CC2(C)C)cc1 ZINC000832274624 616019163 /nfs/dbraw/zinc/01/91/63/616019163.db2.gz WIKNRUIJLYHZPJ-KBPBESRZSA-N 2 0 290.411 0.867 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[C@H]([NH3+])C2CC2)cc1 ZINC000841846686 616019683 /nfs/dbraw/zinc/01/96/83/616019683.db2.gz SCAYDNOHFIGRTE-LSDHHAIUSA-N 2 0 290.411 0.996 20 10 CCCDRP C[N@@H+](Cc1cc(Br)ccc1O)C[C@@H](O)C[NH3+] ZINC000841091974 616164268 /nfs/dbraw/zinc/16/42/68/616164268.db2.gz ITFLUIIUBIIQTH-JTQLQIEISA-N 2 0 289.173 0.906 20 10 CCCDRP C[NH+]1CCN(c2ccc(C[NH+](CCO)CCO)cc2)CC1 ZINC000862429993 616247059 /nfs/dbraw/zinc/24/70/59/616247059.db2.gz NCAIBYKDXKBSJV-UHFFFAOYSA-N 2 0 293.411 0.225 20 10 CCCDRP c1cc(N2CC[NH2+]CC2)ccc1CN1C[C@H]2CC[NH2+]C[C@H]21 ZINC001235213549 806390357 /nfs/dbraw/zinc/39/03/57/806390357.db2.gz NOXOKVHGHLGCMQ-NVXWUHKLSA-N 2 0 286.423 0.890 20 10 CCCDRP C[NH2+][C@@H]1CCN(Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001235831118 806507586 /nfs/dbraw/zinc/50/75/86/806507586.db2.gz FLPNJRLXNCSODI-OAHLLOKOSA-N 2 0 274.412 0.890 20 10 CCCDRP COc1cc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c(O)cc1O ZINC001235997124 806525349 /nfs/dbraw/zinc/52/53/49/806525349.db2.gz FQGHTKIPODCMBT-YWXMQNBFSA-N 2 0 294.351 0.512 20 10 CCCDRP COc1cc(CN2C[C@@H]3C[NH2+]C[C@@H]32)cc(C[NH+](C)C)c1O ZINC001236283080 806558113 /nfs/dbraw/zinc/55/81/13/806558113.db2.gz FCIJVLFJQVOGSE-KBPBESRZSA-N 2 0 291.395 0.866 20 10 CCCDRP [NH3+][C@H]1C[C@@H](F)CN(Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001206425080 803241178 /nfs/dbraw/zinc/24/11/78/803241178.db2.gz UMSLAGZJAYLOLW-CABCVRRESA-N 2 0 292.402 0.967 20 10 CCCDRP c1cc(N2CC[NH2+]CC2)ccc1OCCO[C@@H]1CC[NH2+]C1 ZINC001218393361 803953836 /nfs/dbraw/zinc/95/38/36/803953836.db2.gz LFZNAPVBVMGPRZ-MRXNPFEDSA-N 2 0 291.395 0.854 20 10 CCCDRP Cc1cc(C)c(CNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)c(O)c1 ZINC001220825786 804676183 /nfs/dbraw/zinc/67/61/83/804676183.db2.gz QXMVXVOTVHZHHM-OAHLLOKOSA-N 2 0 291.395 0.952 20 10 CCCDRP Oc1ccc(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)c(O)c1 ZINC001246239631 807195522 /nfs/dbraw/zinc/19/55/22/807195522.db2.gz KJYSAULNKNUYPS-LLVKDONJSA-N 2 0 263.341 0.281 20 10 CCCDRP COc1cccc(C[N@H+](C)CCOCC[NH3+])c1O ZINC000699530207 816764469 /nfs/dbraw/zinc/76/44/69/816764469.db2.gz XZWKYHWMFAMEQM-UHFFFAOYSA-N 2 0 254.330 0.808 20 10 CCCDRP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001205666070 846303492 /nfs/dbraw/zinc/30/34/92/846303492.db2.gz ZJRWDYCVAOVVLB-CQSZACIVSA-N 2 0 266.341 0.774 20 10 CCCDRP C[NH+]1CCN(c2ccc(CNC(=O)C3([NH3+])CC3)cc2)CC1 ZINC001330960583 916993516 /nfs/dbraw/zinc/99/35/16/916993516.db2.gz IIVFDWMUPDIFNO-UHFFFAOYSA-N 2 0 288.395 0.546 20 10 CCCDRP C[NH2+]CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001345637526 923936879 /nfs/dbraw/zinc/93/68/79/923936879.db2.gz MJCWLSGISXFTSQ-CQSZACIVSA-N 2 0 278.400 0.691 20 10 CCCDRP CCNC(=O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771823802 581826170 /nfs/dbraw/zinc/82/61/70/581826170.db2.gz SMHNFOIGMPQSKD-UHFFFAOYSA-N 2 0 290.411 0.664 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2CC[NH2+]CC2)cc1 ZINC000832285738 616019110 /nfs/dbraw/zinc/01/91/10/616019110.db2.gz SVHNBRJTFGUDHL-HNNXBMFYSA-N 2 0 290.411 0.868 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)C23CC(C2)C[NH2+]3)cc1 ZINC000911667098 616019325 /nfs/dbraw/zinc/01/93/25/616019325.db2.gz MUPJXYLARWRUCF-OFWKBQFLSA-N 2 0 288.395 0.621 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2[NH2+]CC2(C)C)cc1 ZINC000832274626 616019660 /nfs/dbraw/zinc/01/96/60/616019660.db2.gz WIKNRUIJLYHZPJ-KGLIPLIRSA-N 2 0 290.411 0.867 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@]2(F)CC[NH2+]C2)cc1 ZINC000841845849 616019671 /nfs/dbraw/zinc/01/96/71/616019671.db2.gz GCRXYEHSVNURCJ-HIFRSBDPSA-N 2 0 294.374 0.570 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@]2(F)CC[NH2+]C2)cc1 ZINC000841845850 616019828 /nfs/dbraw/zinc/01/98/28/616019828.db2.gz GCRXYEHSVNURCJ-UKRRQHHQSA-N 2 0 294.374 0.570 20 10 CCCDRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841846078 642842401 /nfs/dbraw/zinc/84/24/01/642842401.db2.gz JPJZLWGLTORAHL-GLQYFDAESA-N 2 0 290.411 0.867 20 10 CCCDRP [NH3+]CCN(c1cccnc1)c1ncnc2c1CC[NH2+]CC2 ZINC001158000701 801552329 /nfs/dbraw/zinc/55/23/29/801552329.db2.gz UDKPWOPZULGSTM-UHFFFAOYSA-N 2 0 284.367 0.657 20 10 CCCDRP C[C@H]1C[N@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)C[C@H]1C[NH3+] ZINC001205150440 803122339 /nfs/dbraw/zinc/12/23/39/803122339.db2.gz BUUKESQZWUKBES-SMDDNHRTSA-N 3 0 291.395 0.901 20 10 CCCDRP CCc1ccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(O)c1 ZINC001206535797 803263033 /nfs/dbraw/zinc/26/30/33/803263033.db2.gz QWCQKYAYPOMEQJ-JSGCOSHPSA-N 2 0 250.342 0.706 20 10 CCCDRP COc1cccc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)c1O ZINC001222086451 804866644 /nfs/dbraw/zinc/86/66/44/804866644.db2.gz YDWFUIRPYSQMOD-UHFFFAOYSA-N 2 0 291.395 0.928 20 10 CCCDRP Oc1cccc2c1C[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246866778 807414383 /nfs/dbraw/zinc/41/43/83/807414383.db2.gz DOFFRKXNPTUAEH-CYBMUJFWSA-N 2 0 273.380 0.844 20 10 CCCDRP COc1cccc(C[NH2+]C[C@H]2CN(C)CCN2C)c1O ZINC000225313573 352001068 /nfs/dbraw/zinc/00/10/68/352001068.db2.gz XYZLJLDHJUGYLC-ZDUSSCGKSA-N 2 0 279.384 0.736 20 10 CCCDRP CC[C@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841847074 615791214 /nfs/dbraw/zinc/79/12/14/615791214.db2.gz YHMOEFGHMBFYDO-STQMWFEESA-N 2 0 264.373 0.606 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[NH+](C)C)cc1 ZINC000832278897 615865037 /nfs/dbraw/zinc/86/50/37/615865037.db2.gz FTKTWOBWVDZFRK-ZDUSSCGKSA-N 2 0 264.373 0.430 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)CC(C)(C)[NH3+])cc1 ZINC000841845589 616019280 /nfs/dbraw/zinc/01/92/80/616019280.db2.gz AMBIIGDWMREWNX-CYBMUJFWSA-N 2 0 278.400 0.996 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CN[C@H]2C[NH2+]CCOC2)cc1 ZINC000925693254 616019502 /nfs/dbraw/zinc/01/95/02/616019502.db2.gz QTRFBRANQYVDFD-ZFWWWQNUSA-N 2 0 278.400 0.330 20 10 CCCDRP COc1cc(O)c(CN2CC[NH2+]CC[NH2+]CC2)cc1OC ZINC000904396013 634738483 /nfs/dbraw/zinc/73/84/83/634738483.db2.gz BSAHHYOTPGJCBV-UHFFFAOYSA-N 2 0 295.383 0.404 20 10 CCCDRP C[C@H]([NH3+])C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001122414689 799227573 /nfs/dbraw/zinc/22/75/73/799227573.db2.gz VGPCTWJOBQPWLZ-SMDDNHRTSA-N 2 0 278.400 0.819 20 10 CCCDRP [NH3+][C@@H](C(=O)N1CCc2cccc(O)c2C1)C1CC[NH2+]CC1 ZINC001160872066 802036676 /nfs/dbraw/zinc/03/66/76/802036676.db2.gz GWJATUNQIJUMPM-OAHLLOKOSA-N 2 0 289.379 0.604 20 10 CCCDRP COc1cc(O)c(C[NH2+]CCOCCC[NH3+])cc1OC ZINC000863485915 617207814 /nfs/dbraw/zinc/20/78/14/617207814.db2.gz BWPXGPMQHQSNTO-UHFFFAOYSA-N 2 0 284.356 0.864 20 10 CCCDRP CCOc1ccc(CN2CC[NH2+]CC[NH2+]CC2)c(O)c1 ZINC000904397832 615510622 /nfs/dbraw/zinc/51/06/22/615510622.db2.gz ICMTWZBPUMZFNA-UHFFFAOYSA-N 2 0 279.384 0.786 20 10 CCCDRP CC[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841847072 615522704 /nfs/dbraw/zinc/52/27/04/615522704.db2.gz YHMOEFGHMBFYDO-OLZOCXBDSA-N 2 0 264.373 0.606 20 10 CCCDRP CC[C@@H]([NH2+]C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000852792315 615534841 /nfs/dbraw/zinc/53/48/41/615534841.db2.gz VPBVEPAYTQPZSO-ZIAGYGMSSA-N 2 0 278.400 0.867 20 10 CCCDRP CC[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccccc1O ZINC000817946351 615817706 /nfs/dbraw/zinc/81/77/06/615817706.db2.gz XDDWFZAICVYTEC-ZDUSSCGKSA-N 2 0 277.368 0.865 20 10 CCCDRP C[N@H+](CCOCC[NH3+])Cc1cc2c(cc1O)OCO2 ZINC000863650151 616115988 /nfs/dbraw/zinc/11/59/88/616115988.db2.gz OYTNGXRPWSSJOO-UHFFFAOYSA-N 2 0 268.313 0.528 20 10 CCCDRP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@H](O)C[NH3+] ZINC000841092162 616247118 /nfs/dbraw/zinc/24/71/18/616247118.db2.gz KNKXNAQEKMIPMZ-MRXNPFEDSA-N 3 0 292.427 0.190 20 10 CCCDRP CO[C@H](C[NH3+])CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832273469 617082636 /nfs/dbraw/zinc/08/26/36/617082636.db2.gz OEEFGIZLDCDRJT-UONOGXRCSA-N 2 0 294.399 0.232 20 10 CCCDRP Oc1cc2c(cc1CN1C[C@H]3C[NH2+]C[C@H]31)C[NH2+]CCO2 ZINC001236285985 806560162 /nfs/dbraw/zinc/56/01/62/806560162.db2.gz BOHZRDBKYKNFRJ-CHWSQXEVSA-N 2 0 275.352 0.278 20 10 CCCDRP [NH3+][C@@H]1C[C@H](F)CN(Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001206425083 803240658 /nfs/dbraw/zinc/24/06/58/803240658.db2.gz UMSLAGZJAYLOLW-LSDHHAIUSA-N 2 0 292.402 0.967 20 10 CCCDRP CCN(CC)c1ccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(O)c1 ZINC001206476111 803250372 /nfs/dbraw/zinc/25/03/72/803250372.db2.gz RJCFBYLKVLWODK-XJKSGUPXSA-N 2 0 293.411 0.990 20 10 CCCDRP [NH3+]C[C@H]1CN(Cc2cc(F)c(Cl)cc2O)C[C@H]1O ZINC001206491178 803253557 /nfs/dbraw/zinc/25/35/57/803253557.db2.gz HOROBYMOQOSZHV-QPUJVOFHSA-N 2 0 274.723 0.936 20 10 CCCDRP F[C@H]1C[NH2+]C[C@H]1Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001217999384 803926525 /nfs/dbraw/zinc/92/65/25/803926525.db2.gz FEMSPHPZVTWXFT-UONOGXRCSA-N 2 0 265.332 0.785 20 10 CCCDRP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CCc1ccc(O)c(O)c1 ZINC001253404786 808060471 /nfs/dbraw/zinc/06/04/71/808060471.db2.gz HDRILEOKCJRYJC-LBPRGKRZSA-N 2 0 282.384 0.979 20 10 CCCDRP CN1CCN(c2ccc(C[NH2+]C[C@@H](O)CO)cc2F)CC1 ZINC001256279815 808487143 /nfs/dbraw/zinc/48/71/43/808487143.db2.gz QGELZYUWWYRQTN-CYBMUJFWSA-N 2 0 297.374 0.020 20 10 CCCDRP COc1cc(CN2CC[C@@H]([NH3+])C2)cc(C[NH+](C)C)c1O ZINC001236170659 817129592 /nfs/dbraw/zinc/12/95/92/817129592.db2.gz YULFDVWEEHNSOC-CYBMUJFWSA-N 2 0 279.384 0.995 20 10 CCCDRP NC(=[NH2+])N(CCCC[NH3+])C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001179689389 843033537 /nfs/dbraw/zinc/03/35/37/843033537.db2.gz OHLQMAMAUUXHOR-GQCTYLIASA-N 2 0 292.339 0.572 20 10 CCCDRP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001205687959 846464643 /nfs/dbraw/zinc/46/46/43/846464643.db2.gz CAMZLGHKDGCRDS-CQSZACIVSA-N 2 0 282.340 0.479 20 10 CCCDRP COc1ccc(N2CC[NH+](CCCNC(N)=[NH2+])CC2)cc1 ZINC000071647987 348910200 /nfs/dbraw/zinc/91/02/00/348910200.db2.gz HTBIYJJIDOBPHV-UHFFFAOYSA-N 2 0 291.399 0.690 20 10 CCCDRP CC(C)[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841846087 614116684 /nfs/dbraw/zinc/11/66/84/614116684.db2.gz JQQFLMWKZFXWGP-UONOGXRCSA-N 2 0 278.400 0.852 20 10 CCCDRP C[NH2+]CCOCC[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000863648082 616965087 /nfs/dbraw/zinc/96/50/87/616965087.db2.gz ISNDFUKXNBFVPZ-UHFFFAOYSA-N 2 0 282.340 0.789 20 10 CCCDRP Oc1cc2c(cc1C[NH2+]CCN1CC[NH2+]CC1)OCO2 ZINC000841043959 633518753 /nfs/dbraw/zinc/51/87/53/633518753.db2.gz ZUDZOYTXGYYDHD-UHFFFAOYSA-N 2 0 279.340 0.116 20 10 CCCDRP NC(=O)[C@@H]1CCCN1CCC[NH2+]Cc1ccccc1O ZINC000858224423 644600021 /nfs/dbraw/zinc/60/00/21/644600021.db2.gz FTBZFCRGCLGXAL-ZDUSSCGKSA-N 2 0 277.368 0.822 20 10 CCCDRP c1cc(N2CC[NH2+]CC2)ccc1CN1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001235254619 806393956 /nfs/dbraw/zinc/39/39/56/806393956.db2.gz CMFPAHRROZEQNG-RDJZCZTQSA-N 2 0 286.423 0.890 20 10 CCCDRP COc1cc(C[N@H+](C)C[C@H](O)CO)cc(C[NH+](C)C)c1O ZINC001139255191 799800705 /nfs/dbraw/zinc/80/07/05/799800705.db2.gz NPYNMBWREGSPJS-ZDUSSCGKSA-N 2 0 298.383 0.247 20 10 CCCDRP COc1ccc(O)c(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206464843 803247278 /nfs/dbraw/zinc/24/72/78/803247278.db2.gz ULKBSMPSCDXLGZ-GXFFZTMASA-N 2 0 252.314 0.152 20 10 CCCDRP c1cc(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)cc2c1OCC2 ZINC001246201770 807185145 /nfs/dbraw/zinc/18/51/45/807185145.db2.gz XYTGZEGAKOHMIO-AWEZNQCLSA-N 2 0 273.380 0.805 20 10 CCCDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1c(O)cc(O)cc1O ZINC001144509425 840071880 /nfs/dbraw/zinc/07/18/80/840071880.db2.gz WEVPXLNIDLOAJG-UHFFFAOYSA-N 2 0 297.399 0.729 20 10 CCCDRP Oc1cc(N2CC[NH2+]CC2)ccc1CN1C[C@@H]2C[NH2+]C[C@H]21 ZINC001236290826 903977514 /nfs/dbraw/zinc/97/75/14/903977514.db2.gz LAUPDTJNMLBOHP-DZGCQCFKSA-N 2 0 288.395 0.205 20 10 CCCDRP C[C@H]([NH3+])CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001353145832 925740595 /nfs/dbraw/zinc/74/05/95/925740595.db2.gz FMTFVLZNQKDAOP-ZDUSSCGKSA-N 2 0 290.411 0.792 20 10 CCCDRP CN1CCN(C)[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000225319946 352001118 /nfs/dbraw/zinc/00/11/18/352001118.db2.gz IJYHSDQHFGPGGJ-HNNXBMFYSA-N 2 0 275.396 0.957 20 10 CCCDRP COc1ccc(O)c(C[NH2+]CC2(O)CC[NH+](C)CC2)c1 ZINC000271872290 389445920 /nfs/dbraw/zinc/44/59/20/389445920.db2.gz YFXVOQQJLNGPPN-UHFFFAOYSA-N 2 0 280.368 0.947 20 10 CCCDRP COc1cccc(O)c1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000843052901 617304895 /nfs/dbraw/zinc/30/48/95/617304895.db2.gz OKKHDSVXALVFPO-UHFFFAOYSA-N 2 0 279.384 0.738 20 10 CCCDRP CC(=O)c1cc(F)cc(CN2CC[NH2+]CC[NH2+]CC2)c1O ZINC000923466070 614249438 /nfs/dbraw/zinc/24/94/38/614249438.db2.gz IKQCKVBTEQJQSY-UHFFFAOYSA-N 2 0 295.358 0.729 20 10 CCCDRP CC[NH2+][C@@H](C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876506599 615109406 /nfs/dbraw/zinc/10/94/06/615109406.db2.gz MFYSQRPIGCOFIZ-FZMZJTMJSA-N 2 0 278.400 0.867 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)C(C)(C)[NH3+])cc1 ZINC000832272263 616019518 /nfs/dbraw/zinc/01/95/18/616019518.db2.gz DFTLPSWMDWZLFB-GFCCVEGCSA-N 2 0 264.373 0.606 20 10 CCCDRP CN(Cc1ccc(N2CC[NH2+]CC2)cc1)C1C[NH2+]C1 ZINC001235922275 806516792 /nfs/dbraw/zinc/51/67/92/806516792.db2.gz WUMWNRPPTAOBTJ-UHFFFAOYSA-N 2 0 260.385 0.500 20 10 CCCDRP c1cc(N2CC[NH2+]CC2)ccc1CN1C[C@H]2C[NH2+]C[C@H]21 ZINC001236281544 806557994 /nfs/dbraw/zinc/55/79/94/806557994.db2.gz AHHJFLRXHDHURF-GDBMZVCRSA-N 2 0 272.396 0.500 20 10 CCCDRP c1cc(N2CC[NH2+]CC2)ccc1CN[C@@H]1CCC[NH2+]C1 ZINC001246175135 807176395 /nfs/dbraw/zinc/17/63/95/807176395.db2.gz STTLLCYUTXNJGG-OAHLLOKOSA-N 2 0 274.412 0.938 20 10 CCCDRP CN(C)c1ccc([C@H](CNC(=O)NCC[NH3+])[NH+](C)C)cc1 ZINC001335584251 920299006 /nfs/dbraw/zinc/29/90/06/920299006.db2.gz MFPDEEQPSXMRQE-AWEZNQCLSA-N 2 0 293.415 0.613 20 10 CCCDRP Nc1ccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC001356083125 926342424 /nfs/dbraw/zinc/34/24/24/926342424.db2.gz KVHBSCINXNUUNX-HNNXBMFYSA-N 2 0 260.385 0.748 20 10 CCCDRP O=C(C[NH2+][C@@H]1CCc2cccc(O)c21)N1CC[NH2+]CC1 ZINC000817946201 641282851 /nfs/dbraw/zinc/28/28/51/641282851.db2.gz UHWPOUAGXYXDGR-GFCCVEGCSA-N 2 0 275.352 0.401 20 10 CCCDRP C[C@H]([NH3+])CCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841846183 642842714 /nfs/dbraw/zinc/84/27/14/642842714.db2.gz KGJNOWNLKXDNFQ-SMDDNHRTSA-N 2 0 278.400 0.996 20 10 CCCDRP COc1cccc(O)c1C[NH2+]CCOCCC[NH3+] ZINC000863484248 645100248 /nfs/dbraw/zinc/10/02/48/645100248.db2.gz IOWPZWKHRYTXOG-UHFFFAOYSA-N 2 0 254.330 0.856 20 10 CCCDRP CN(C)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c(O)c1 ZINC001205967671 803193071 /nfs/dbraw/zinc/19/30/71/803193071.db2.gz VDCJUBAMSODYGL-TZMCWYRMSA-N 2 0 265.357 0.352 20 10 CCCDRP COc1cc(C)c(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(O)c1 ZINC001206534736 803262817 /nfs/dbraw/zinc/26/28/17/803262817.db2.gz BHBQDVXTFVAOPC-HZMBPMFUSA-N 2 0 266.341 0.461 20 10 CCCDRP Oc1cc(O)c(CC[NH2+]C2CC[NH2+]CC2)cc1O ZINC001246214978 807189280 /nfs/dbraw/zinc/18/92/80/807189280.db2.gz WWAUBUDUOLEORN-UHFFFAOYSA-N 2 0 252.314 0.688 20 10 CCCDRP Oc1ccc(CC[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)cc1O ZINC001246237462 807194931 /nfs/dbraw/zinc/19/49/31/807194931.db2.gz GNVWYWLDTSFMBX-LBPRGKRZSA-N 2 0 277.368 0.324 20 10 CCCDRP Oc1cc2c(cc1CN1CCC[NH2+]CC1)C[NH2+]CCO2 ZINC001204685181 814555149 /nfs/dbraw/zinc/55/51/49/814555149.db2.gz WKZUKJAEXSHHRY-UHFFFAOYSA-N 2 0 277.368 0.670 20 10 CCCDRP COc1cc(O)c(C[NH2+]C2CC([NH3+])C2)cc1OC ZINC000906509567 617207660 /nfs/dbraw/zinc/20/76/60/617207660.db2.gz JTSKQRJKZSKDDA-UHFFFAOYSA-N 2 0 252.314 0.989 20 10 CCCDRP COc1ccc(N2CC[NH+](CCOCC[NH3+])CC2)cc1F ZINC000844221227 617267756 /nfs/dbraw/zinc/26/77/56/617267756.db2.gz KSKGYPHZOPLDLO-UHFFFAOYSA-N 2 0 297.374 0.932 20 10 CCCDRP COc1cccc(O)c1C[NH2+]CCCN1CC[NH2+]CC1 ZINC000841030744 617305423 /nfs/dbraw/zinc/30/54/23/617305423.db2.gz USNRGHVGXUMLPL-UHFFFAOYSA-N 2 0 279.384 0.786 20 10 CCCDRP CC[C@@H]([NH2+]C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000852792314 615535096 /nfs/dbraw/zinc/53/50/96/615535096.db2.gz VPBVEPAYTQPZSO-UONOGXRCSA-N 2 0 278.400 0.867 20 10 CCCDRP C[NH+]1CCN(c2ccc(CN3CC[NH2+]CC3)cc2)CC1 ZINC000019726916 616247006 /nfs/dbraw/zinc/24/70/06/616247006.db2.gz WBBPQHKVEMVKIN-UHFFFAOYSA-N 2 0 274.412 0.844 20 10 CCCDRP C[NH+]1CCN(c2ccc(CNC(=O)NCC[NH3+])cc2)CC1 ZINC000891977047 616247026 /nfs/dbraw/zinc/24/70/26/616247026.db2.gz IODBYKOCWUEUGX-UHFFFAOYSA-N 2 0 291.399 0.196 20 10 CCCDRP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccccc1O ZINC000817945750 641281042 /nfs/dbraw/zinc/28/10/42/641281042.db2.gz KUADSDXGOBJCOY-NSHDSACASA-N 2 0 263.341 0.475 20 10 CCCDRP C[C@H](C[NH3+])NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000841060261 642802288 /nfs/dbraw/zinc/80/22/88/642802288.db2.gz ILOCGVUTUVRMAK-CYBMUJFWSA-N 2 0 262.401 0.875 20 10 CCCDRP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841845642 642842145 /nfs/dbraw/zinc/84/21/45/642842145.db2.gz CEIDHMFLCNGUKC-COPLHBTASA-N 2 0 278.400 0.852 20 10 CCCDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cc(O)c(O)c(O)c1 ZINC001233013363 806006493 /nfs/dbraw/zinc/00/64/93/806006493.db2.gz PIOPUGPJIJPEAW-UHFFFAOYSA-N 2 0 297.399 0.729 20 10 CCCDRP c1cc(N2CC[NH2+]CC2)ccc1CN1CC[C@H]2C[NH2+][C@H]2C1 ZINC001235198401 806385323 /nfs/dbraw/zinc/38/53/23/806385323.db2.gz SSFKBWHXAGVZLJ-RDJZCZTQSA-N 2 0 286.423 0.890 20 10 CCCDRP c1cc(N2CC[NH2+]CC2)ccc1CN1C[C@H]2C[NH2+]C[C@@H]21 ZINC001236281549 806558711 /nfs/dbraw/zinc/55/87/11/806558711.db2.gz AHHJFLRXHDHURF-ZBFHGGJFSA-N 2 0 272.396 0.500 20 10 CCCDRP C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(O)c(O)c1 ZINC001203879970 803051156 /nfs/dbraw/zinc/05/11/56/803051156.db2.gz KZUOZVIILKCEQX-UHFFFAOYSA-N 2 0 279.384 0.777 20 10 CCCDRP c1cc(N2CC[NH2+]CC2)ccc1CN1CC[NH2+]CC1 ZINC000084857405 803140833 /nfs/dbraw/zinc/14/08/33/803140833.db2.gz LPXYMGAIHQKMBY-UHFFFAOYSA-N 2 0 260.385 0.501 20 10 CCCDRP CN1CCCc2cc(C[N@@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)ccc21 ZINC001206467993 803246821 /nfs/dbraw/zinc/24/68/21/803246821.db2.gz FLODVWKJHYDYTL-GOEBONIOSA-N 2 0 275.396 0.820 20 10 CCCDRP [NH3+]CCN(C(=O)C=C1CC[NH2+]CC1)c1cccnc1 ZINC001220263488 804554634 /nfs/dbraw/zinc/55/46/34/804554634.db2.gz MKZIJWNHHKRSBS-UHFFFAOYSA-N 2 0 260.341 0.683 20 10 CCCDRP COc1cccc(O)c1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000740899057 581722860 /nfs/dbraw/zinc/72/28/60/581722860.db2.gz OOLWBYAFUONYII-UHFFFAOYSA-N 2 0 280.368 0.947 20 10 CCCDRP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841846085 614224114 /nfs/dbraw/zinc/22/41/14/614224114.db2.gz JQQFLMWKZFXWGP-KGLIPLIRSA-N 2 0 278.400 0.852 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])C2CCC2)cc1 ZINC000817858929 616019029 /nfs/dbraw/zinc/01/90/29/616019029.db2.gz GAAJHRLIPPBJHW-GJZGRUSLSA-N 2 0 290.411 0.996 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]([NH3+])C2CCC2)cc1 ZINC000817858931 616019120 /nfs/dbraw/zinc/01/91/20/616019120.db2.gz GAAJHRLIPPBJHW-LSDHHAIUSA-N 2 0 290.411 0.996 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CC2(C[NH3+])CC2)cc1 ZINC000832280211 616019173 /nfs/dbraw/zinc/01/91/73/616019173.db2.gz NWCHGCQQAWPPRS-AWEZNQCLSA-N 2 0 290.411 0.998 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2(C)C[NH2+]C2)cc1 ZINC000832281579 616019480 /nfs/dbraw/zinc/01/94/80/616019480.db2.gz UNSIWEVEGOOYBC-CYBMUJFWSA-N 2 0 276.384 0.478 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)CC2(C[NH3+])CC2)cc1 ZINC000832280214 616019542 /nfs/dbraw/zinc/01/95/42/616019542.db2.gz NWCHGCQQAWPPRS-CQSZACIVSA-N 2 0 290.411 0.998 20 10 CCCDRP C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H](O)C[NH3+] ZINC000923366318 616167103 /nfs/dbraw/zinc/16/71/03/616167103.db2.gz LCKXNIRDJHJVGX-OAHLLOKOSA-N 2 0 279.384 0.275 20 10 CCCDRP COCC[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000884010067 616635334 /nfs/dbraw/zinc/63/53/34/616635334.db2.gz QKHYFVGXGMMOIU-ZIAGYGMSSA-N 2 0 294.399 0.232 20 10 CCCDRP Oc1ccc(F)cc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000904396780 634738155 /nfs/dbraw/zinc/73/81/55/634738155.db2.gz QHHUYVJNXRASOB-UHFFFAOYSA-N 2 0 253.321 0.526 20 10 CCCDRP COc1ccc(C[NH2+]CCN2CC[NH2+]CC2)cc1C ZINC000083460753 638800082 /nfs/dbraw/zinc/80/00/82/638800082.db2.gz FUGFJIJTKRFUKZ-UHFFFAOYSA-N 2 0 263.385 0.998 20 10 CCCDRP C[C@H]([NH3+])CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832266864 642467017 /nfs/dbraw/zinc/46/70/17/642467017.db2.gz JWKLJARJCGYOFG-GXFFZTMASA-N 2 0 264.373 0.606 20 10 CCCDRP c1cc(N2CC[NH2+]CC2)ccc1CN1C[C@@H]2C[NH2+]C[C@H]21 ZINC001236281545 806558927 /nfs/dbraw/zinc/55/89/27/806558927.db2.gz AHHJFLRXHDHURF-GOEBONIOSA-N 2 0 272.396 0.500 20 10 CCCDRP Oc1cc2c(cc1CN1C[C@H]3C[NH2+]C[C@@H]31)C[NH2+]CCO2 ZINC001236285989 806559942 /nfs/dbraw/zinc/55/99/42/806559942.db2.gz BOHZRDBKYKNFRJ-OLZOCXBDSA-N 2 0 275.352 0.278 20 10 CCCDRP O=C([C@H]1C[NH2+]CC12C[NH2+]C2)N1CCc2cccc(O)c2C1 ZINC001160872678 802036766 /nfs/dbraw/zinc/03/67/66/802036766.db2.gz OZXOSQIHJHHNEW-CYBMUJFWSA-N 2 0 287.363 0.086 20 10 CCCDRP c1cc(N2CC[NH2+]CC2)ccc1CN1CC2(C[NH2+]C2)C1 ZINC001222461711 804901844 /nfs/dbraw/zinc/90/18/44/804901844.db2.gz ZOJCPWURZALGLN-UHFFFAOYSA-N 2 0 272.396 0.501 20 10 CCCDRP [NH3+][C@H]1CCN(Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001236171697 817134879 /nfs/dbraw/zinc/13/48/79/817134879.db2.gz VQFUVUDUBIIFAP-AWEZNQCLSA-N 3 0 260.385 0.629 20 10 CCCDRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cccc(O)c1O ZINC001148220111 840765897 /nfs/dbraw/zinc/76/58/97/840765897.db2.gz RMFXQQZNOOKEBQ-UHFFFAOYSA-N 2 0 266.301 0.172 20 10 CCCDRP CN(C)c1ccc([C@@H](CNC(=O)NCC[NH3+])[NH+](C)C)cc1 ZINC001335584253 920297841 /nfs/dbraw/zinc/29/78/41/920297841.db2.gz MFPDEEQPSXMRQE-CQSZACIVSA-N 2 0 293.415 0.613 20 10 CCCDRP CC(C)[C@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841846083 614224184 /nfs/dbraw/zinc/22/41/84/614224184.db2.gz JQQFLMWKZFXWGP-KBPBESRZSA-N 2 0 278.400 0.852 20 10 CCCDRP CN(C)c1ccc(CN2CC[NH2+]CC[NH2+]CC2)cc1F ZINC000904398525 616013741 /nfs/dbraw/zinc/01/37/41/616013741.db2.gz REXWNVORDXXFKN-UHFFFAOYSA-N 2 0 280.391 0.887 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2([NH3+])CC2)cc1 ZINC000843297836 616018945 /nfs/dbraw/zinc/01/89/45/616018945.db2.gz KYLIXCKYLXRTNV-LBPRGKRZSA-N 2 0 262.357 0.360 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CC[NH2+]2)cc1 ZINC000832274123 616019107 /nfs/dbraw/zinc/01/91/07/616019107.db2.gz SNLLWHSOAOJJGA-QWHCGFSZSA-N 2 0 262.357 0.231 20 10 CCCDRP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@@H](O)C[NH3+] ZINC000841092160 616247087 /nfs/dbraw/zinc/24/70/87/616247087.db2.gz KNKXNAQEKMIPMZ-INIZCTEOSA-N 3 0 292.427 0.190 20 10 CCCDRP C[C@@H]([NH3+])CCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841846105 642842194 /nfs/dbraw/zinc/84/21/94/642842194.db2.gz KGJNOWNLKXDNFQ-RISCZKNCSA-N 2 0 278.400 0.996 20 10 CCCDRP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001234977838 806320736 /nfs/dbraw/zinc/32/07/36/806320736.db2.gz BUKZCZKZOLMZCE-IYBDPMFKSA-N 3 0 286.423 0.747 20 10 CCCDRP CC1([NH3+])CN(Cc2ccc(N3CC[NH2+]CC3)cc2O)C1 ZINC001204985989 803112126 /nfs/dbraw/zinc/11/21/26/803112126.db2.gz PXRPJOQMASFORY-UHFFFAOYSA-N 2 0 276.384 0.335 20 10 CCCDRP C[C@@H]1CN(Cc2cc3c(cc2O)OCC[NH2+]C3)C[C@H]1[NH3+] ZINC001206075874 803202071 /nfs/dbraw/zinc/20/20/71/803202071.db2.gz ZYLKQYUTJFNKBC-ZWNOBZJWSA-N 2 0 277.368 0.653 20 10 CCCDRP COc1cccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206512838 803256204 /nfs/dbraw/zinc/25/62/04/803256204.db2.gz UUIYHTOIYZUMKP-QWRGUYRKSA-N 2 0 252.314 0.152 20 10 CCCDRP C[C@@H]1C[C@H](NCc2ccc(N3CC[NH2+]CC3)cc2)C[NH2+]1 ZINC001246174316 807174622 /nfs/dbraw/zinc/17/46/22/807174622.db2.gz OJDGIQVRAITCHV-HIFRSBDPSA-N 2 0 274.412 0.936 20 10 CCCDRP CCOC(=O)CN(CC[NH3+])c1ccc(C2([NH3+])CC2)cc1 ZINC001170995499 839680952 /nfs/dbraw/zinc/68/09/52/839680952.db2.gz OJRFFBDQLAQCPX-UHFFFAOYSA-N 2 0 277.368 0.963 20 10 CCCDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@](C)(O)CO)cc2)CC1 ZINC000794748034 581386955 /nfs/dbraw/zinc/38/69/55/581386955.db2.gz GIDUUKCCTBWWTH-MRXNPFEDSA-N 2 0 293.411 0.271 20 10 CCCDRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(N)=O ZINC000775198753 582013832 /nfs/dbraw/zinc/01/38/32/582013832.db2.gz FNSZCVMYRJRQAI-GFCCVEGCSA-N 2 0 276.384 0.402 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])CC2CC2)cc1 ZINC000884010534 616018997 /nfs/dbraw/zinc/01/89/97/616018997.db2.gz FPVCZMONKWFGPD-GJZGRUSLSA-N 2 0 290.411 0.996 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000852792324 616019128 /nfs/dbraw/zinc/01/91/28/616019128.db2.gz VUXMNAMURBBJOO-ILXRZTDVSA-N 2 0 290.411 0.996 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2(C)C[NH2+]C2)cc1 ZINC000832281582 616019129 /nfs/dbraw/zinc/01/91/29/616019129.db2.gz UNSIWEVEGOOYBC-ZDUSSCGKSA-N 2 0 276.384 0.478 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2([NH+](C)C)CC2)cc1 ZINC000911665820 616019499 /nfs/dbraw/zinc/01/94/99/616019499.db2.gz FGGDVWBWAFPORZ-CQSZACIVSA-N 2 0 290.411 0.963 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2C[C@@H]2C[NH3+])cc1 ZINC000911668200 616019709 /nfs/dbraw/zinc/01/97/09/616019709.db2.gz WBKCWEAIOCHQCT-MRVWCRGKSA-N 2 0 276.384 0.463 20 10 CCCDRP C[NH+]1CCN(c2ccc(CN[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000841044750 616247092 /nfs/dbraw/zinc/24/70/92/616247092.db2.gz HCCOTNGLZABRFZ-OAHLLOKOSA-N 2 0 274.412 0.890 20 10 CCCDRP Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)c(O)c1 ZINC000817945741 641281471 /nfs/dbraw/zinc/28/14/71/641281471.db2.gz KOYGDLVJEJUOQH-GFCCVEGCSA-N 2 0 277.368 0.783 20 10 CCCDRP c1cc(N2CC[NH2+]CC2)ccc1CN1C[C@H]2C[NH2+]CC[C@H]21 ZINC001235254616 806395313 /nfs/dbraw/zinc/39/53/13/806395313.db2.gz CMFPAHRROZEQNG-NVXWUHKLSA-N 2 0 286.423 0.890 20 10 CCCDRP C[NH+]1CCN(c2ccc(C[NH+]3CC(C(N)=O)C3)cc2)CC1 ZINC001139413651 799808610 /nfs/dbraw/zinc/80/86/10/799808610.db2.gz XIHZQDIGHHONMG-UHFFFAOYSA-N 2 0 288.395 0.356 20 10 CCCDRP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001205681754 803155122 /nfs/dbraw/zinc/15/51/22/803155122.db2.gz NIABWEQCYRGJPO-CQSZACIVSA-N 2 0 266.341 0.774 20 10 CCCDRP Cc1cc(C)c(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(O)c1 ZINC001206476907 803250656 /nfs/dbraw/zinc/25/06/56/803250656.db2.gz XVHVSXNHKSPCOB-SMDDNHRTSA-N 2 0 250.342 0.760 20 10 CCCDRP C[C@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(O)c(O)c2)CC[NH2+]1 ZINC001246185972 807180531 /nfs/dbraw/zinc/18/05/31/807180531.db2.gz YGJGFMFPEMAJHP-PXWWUCIGSA-N 2 0 266.341 0.861 20 10 CCCDRP C[C@@H]([NH3+])C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000169808994 819335106 /nfs/dbraw/zinc/33/51/06/819335106.db2.gz KHHMAISVFRYDLQ-GFCCVEGCSA-N 2 0 276.384 0.402 20 10 CCCDRP [NH3+]C[C@H]1CN(Cc2c(O)ccc(F)c2F)C[C@@H]1O ZINC001206530370 843868911 /nfs/dbraw/zinc/86/89/11/843868911.db2.gz GZNRYWGOCFOQIS-CPCISQLKSA-N 2 0 258.268 0.422 20 10 CCCDRP COc1ccc(N2CC[NH+](CCOCC[NH3+])CC2)cc1 ZINC000032126123 617267611 /nfs/dbraw/zinc/26/76/11/617267611.db2.gz VWWGSYCMYKTHEC-UHFFFAOYSA-N 2 0 279.384 0.793 20 10 CCCDRP CCOc1ccc(O)c(C[N@H+](C)C[C@H](O)C[NH3+])c1 ZINC000841091769 615511979 /nfs/dbraw/zinc/51/19/79/615511979.db2.gz FVIUBPMLTMRCSP-LLVKDONJSA-N 2 0 254.330 0.542 20 10 CCCDRP COc1c(O)c(C[N@H+](C)CCOCC[NH3+])ccc1[N+](=O)[O-] ZINC000863650926 617149097 /nfs/dbraw/zinc/14/90/97/617149097.db2.gz FEVKZWKMFINTIW-UHFFFAOYSA-N 2 0 299.327 0.716 20 10 CCCDRP Cc1cc(O)c(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1C ZINC000843047639 642980612 /nfs/dbraw/zinc/98/06/12/642980612.db2.gz ZDPXEXSUSFNLBQ-UHFFFAOYSA-N 2 0 291.395 0.873 20 10 CCCDRP Cc1cccc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1O ZINC000843047953 642981378 /nfs/dbraw/zinc/98/13/78/642981378.db2.gz DERMXAIZXPHNCR-AWEZNQCLSA-N 2 0 291.395 0.988 20 10 CCCDRP c1cc(N2CC[NH2+]CC2)ccc1CN1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001235254624 806394372 /nfs/dbraw/zinc/39/43/72/806394372.db2.gz CMFPAHRROZEQNG-WBVHZDCISA-N 2 0 286.423 0.890 20 10 CCCDRP CN(Cc1ccc(N2CC[NH2+]CC2)cc1)[C@H]1CC[NH2+]C1 ZINC001235740747 806497901 /nfs/dbraw/zinc/49/79/01/806497901.db2.gz MKFSSLNZHXWKGD-INIZCTEOSA-N 2 0 274.412 0.890 20 10 CCCDRP COc1cc(C[N@H+](C)CCO)cc(C[NH+](C)C)c1O ZINC001236255961 806557804 /nfs/dbraw/zinc/55/78/04/806557804.db2.gz UNJNUJYCGMQQQT-UHFFFAOYSA-N 2 0 268.357 0.887 20 10 CCCDRP C[NH+]1CCN(c2ccc(CN3C[C@@H]4C[NH2+]C[C@H]43)cc2)CC1 ZINC001236284289 806559646 /nfs/dbraw/zinc/55/96/46/806559646.db2.gz HMUZCRYGFLEIGP-DOTOQJQBSA-N 2 0 286.423 0.842 20 10 CCCDRP C[NH+]1CCN(c2ccc(CN3C[C@@H]4C[NH2+]C[C@@H]43)cc2)CC1 ZINC001236284291 806560490 /nfs/dbraw/zinc/56/04/90/806560490.db2.gz HMUZCRYGFLEIGP-RDJZCZTQSA-N 2 0 286.423 0.842 20 10 CCCDRP C[NH+]1CCN(c2ccc(C[NH+]3CC(CO)C3)cc2)CC1 ZINC001139409725 799809718 /nfs/dbraw/zinc/80/97/18/799809718.db2.gz QNQBSWSIKBLFKN-UHFFFAOYSA-N 2 0 275.396 0.863 20 10 CCCDRP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCc2cccc(O)c2C1 ZINC001160871862 802037357 /nfs/dbraw/zinc/03/73/57/802037357.db2.gz AJHMZYDGAJOQGF-GFCCVEGCSA-N 2 0 263.341 0.343 20 10 CCCDRP [NH3+][C@@H]1CCN(c2ccc([C@H]3CC4(C[NH2+]C4)C(=O)N3)cc2)C1 ZINC001164281085 802704042 /nfs/dbraw/zinc/70/40/42/802704042.db2.gz QNKIJWQNEACZKH-TZMCWYRMSA-N 2 0 286.379 0.375 20 10 CCCDRP COc1ccc(O)c(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206512817 803257137 /nfs/dbraw/zinc/25/71/37/803257137.db2.gz ULKBSMPSCDXLGZ-GWCFXTLKSA-N 2 0 252.314 0.152 20 10 CCCDRP C[C@H]1C[C@H](NCc2ccc(N3CC[NH2+]CC3)cc2)C[NH2+]1 ZINC001246174319 807175070 /nfs/dbraw/zinc/17/50/70/807175070.db2.gz OJDGIQVRAITCHV-ZFWWWQNUSA-N 2 0 274.412 0.936 20 10 CCCDRP CC[NH+](CC)C[C@H](O)C[NH2+]CCc1ccc(O)c(O)c1 ZINC001253206962 808032049 /nfs/dbraw/zinc/03/20/49/808032049.db2.gz VCGJNCFVUNPPAI-CYBMUJFWSA-N 2 0 282.384 0.933 20 10 CCCDRP Cc1ccc(O)c(C[NH2+]C[C@]2(O)CCN(C)C2)c1 ZINC000705443237 819507519 /nfs/dbraw/zinc/50/75/19/819507519.db2.gz JSORYMPQELKSFV-CQSZACIVSA-N 2 0 250.342 0.857 20 10 CCCDRP C[NH+](C)CCN1CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144499204 840065976 /nfs/dbraw/zinc/06/59/76/840065976.db2.gz FDVZPFHVFQUJEE-UHFFFAOYSA-N 2 0 295.383 0.483 20 10 CCCDRP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCc2cccc(O)c2C1 ZINC001160871864 840246356 /nfs/dbraw/zinc/24/63/56/840246356.db2.gz AJHMZYDGAJOQGF-LBPRGKRZSA-N 2 0 263.341 0.343 20 10 CCCDRP Cc1c(O)ccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1O ZINC001206474574 843658200 /nfs/dbraw/zinc/65/82/00/843658200.db2.gz FQXDTPUWJUVNRI-CMPLNLGQSA-N 2 0 252.314 0.158 20 10 CCCDRP CCOc1cccc(CN2CC[C@@H]([NH3+])[C@H](O)C2)c1O ZINC001205946069 847897686 /nfs/dbraw/zinc/89/76/86/847897686.db2.gz HZKBVPXVMHMNRH-VXGBXAGGSA-N 2 0 266.341 0.685 20 10 CCCDRP Nc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC001356083126 926342808 /nfs/dbraw/zinc/34/28/08/926342808.db2.gz KVHBSCINXNUUNX-OAHLLOKOSA-N 2 0 260.385 0.748 20 10 CCCDRP COc1cc(O)c(C[NH2+][C@H]2C[C@H]([NH3+])C2)cc1OC ZINC000906516746 617207795 /nfs/dbraw/zinc/20/77/95/617207795.db2.gz JTSKQRJKZSKDDA-MGCOHNPYSA-N 2 0 252.314 0.989 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[NH2+]CC2CC2)cc1 ZINC000841847114 616019101 /nfs/dbraw/zinc/01/91/01/616019101.db2.gz ZJQNMDWAIZUAON-HNNXBMFYSA-N 2 0 290.411 0.868 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)CC[NH3+])cc1 ZINC000832267214 616019537 /nfs/dbraw/zinc/01/95/37/616019537.db2.gz OKWAJKSONJEKLU-GFCCVEGCSA-N 2 0 250.346 0.217 20 10 CCCDRP C[NH2+]C1CC(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)C1 ZINC000911667121 616935304 /nfs/dbraw/zinc/93/53/04/616935304.db2.gz NNQRNFGOOYVKTR-SSDMNJCBSA-N 2 0 290.411 0.867 20 10 CCCDRP CN(C)c1ccc(C[NH2+]CCN2CC[NH2+]CC2)cc1 ZINC000083457508 638799870 /nfs/dbraw/zinc/79/98/70/638799870.db2.gz FYAJKWIVFIMLNG-UHFFFAOYSA-N 2 0 262.401 0.747 20 10 CCCDRP [NH3+][C@]12CC[C@@H]1CN(Cc1cc3c(cc1O)OCC[NH2+]C3)C2 ZINC001235991471 806524192 /nfs/dbraw/zinc/52/41/92/806524192.db2.gz OGTHVJHUJAWEHL-CJNGLKHVSA-N 2 0 289.379 0.797 20 10 CCCDRP COc1cc(CN2C[C@H]3C[C@@]3([NH3+])C2)cc(C[NH+](C)C)c1O ZINC001236023157 806529155 /nfs/dbraw/zinc/52/91/55/806529155.db2.gz FIAFZEKDYGGJHC-CZUORRHYSA-N 2 0 291.395 0.995 20 10 CCCDRP C[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001122414685 799227858 /nfs/dbraw/zinc/22/78/58/799227858.db2.gz VGPCTWJOBQPWLZ-BXUZGUMPSA-N 2 0 278.400 0.819 20 10 CCCDRP [NH3+][C@H](CC(=O)N1CC[NH2+]C2(CC2)C1)c1ccccc1O ZINC001161550673 802177411 /nfs/dbraw/zinc/17/74/11/802177411.db2.gz OKSVEDUWYZWPNM-GFCCVEGCSA-N 2 0 275.352 0.747 20 10 CCCDRP [NH3+][C@H]1CN(Cc2ccc(N3CC[NH2+]CC3)cc2)C[C@@H]1F ZINC001204890080 803108589 /nfs/dbraw/zinc/10/85/89/803108589.db2.gz BCYVDQCUUNXBOT-GJZGRUSLSA-N 2 0 278.375 0.577 20 10 CCCDRP COc1cc(CN2CC(C)([NH3+])C2)cc(C[NH+](C)C)c1O ZINC001204974375 803112318 /nfs/dbraw/zinc/11/23/18/803112318.db2.gz VDTZVXGRFFRDMA-UHFFFAOYSA-N 2 0 279.384 0.995 20 10 CCCDRP c1cc(N2CC[NH2+]CC2)ccc1CN[C@H]1CCC[NH2+]C1 ZINC001246175134 807176329 /nfs/dbraw/zinc/17/63/29/807176329.db2.gz STTLLCYUTXNJGG-HNNXBMFYSA-N 2 0 274.412 0.938 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000841846239 616019067 /nfs/dbraw/zinc/01/90/67/616019067.db2.gz MQTTUDQYJGSDKA-UONOGXRCSA-N 2 0 276.384 0.621 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2=CC[C@H]([NH3+])C2)cc1 ZINC000876506890 616019457 /nfs/dbraw/zinc/01/94/57/616019457.db2.gz PZFRWUZBVVDSNX-DZGCQCFKSA-N 2 0 288.395 0.916 20 10 CCCDRP C[NH+]1CCN(c2ccc(CN[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000841044748 616247233 /nfs/dbraw/zinc/24/72/33/616247233.db2.gz HCCOTNGLZABRFZ-HNNXBMFYSA-N 2 0 274.412 0.890 20 10 CCCDRP Nc1ccc(CC[NH2+]C2CCN(CC[NH3+])CC2)cc1 ZINC000904353379 634733460 /nfs/dbraw/zinc/73/34/60/634733460.db2.gz LBFXFDRVKPBNAZ-UHFFFAOYSA-N 2 0 262.401 0.824 20 10 CCCDRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000063178491 637206196 /nfs/dbraw/zinc/20/61/96/637206196.db2.gz VMGHVVCNWUASBA-CYBMUJFWSA-N 2 0 277.368 0.679 20 10 CCCDRP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccccc1O ZINC000817945749 641281145 /nfs/dbraw/zinc/28/11/45/641281145.db2.gz KUADSDXGOBJCOY-LLVKDONJSA-N 2 0 263.341 0.475 20 10 CCCDRP Cc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)c(O)c1 ZINC001235870754 806512013 /nfs/dbraw/zinc/51/20/13/806512013.db2.gz PHNYSGQXXDBUBU-UHFFFAOYSA-N 2 0 292.427 0.285 20 10 CCCDRP Cc1cc(C)c(CNC(=O)[C@@H]([NH3+])CCC[NH3+])c(O)c1 ZINC001220825578 804674020 /nfs/dbraw/zinc/67/40/20/804674020.db2.gz NAZVJDQUCDACST-LBPRGKRZSA-N 2 0 265.357 0.691 20 10 CCCDRP Oc1ccc(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)cc1O ZINC001246275991 807204803 /nfs/dbraw/zinc/20/48/03/807204803.db2.gz AGWYEOXVXHCSDX-LLVKDONJSA-N 2 0 263.341 0.281 20 10 CCCDRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2cc(O)c(O)c(O)c2)CC1 ZINC001205239437 897707993 /nfs/dbraw/zinc/70/79/93/897707993.db2.gz BFIZMKCCGMUBGZ-AWEZNQCLSA-N 2 0 282.340 0.479 20 10 CCCDRP COc1cc(O)c(C[N@H+](C)CCOCC[NH3+])cc1OC ZINC000863651883 617207460 /nfs/dbraw/zinc/20/74/60/617207460.db2.gz OQPUCNJRYBFODK-UHFFFAOYSA-N 2 0 284.356 0.817 20 10 CCCDRP COc1ccc(O)c([C@H](C)[NH2+]CCN2CC[NH2+]CC2)c1 ZINC000817944530 617274396 /nfs/dbraw/zinc/27/43/96/617274396.db2.gz GAWKEQPRPAHELF-LBPRGKRZSA-N 2 0 279.384 0.957 20 10 CCCDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCCC[NH3+])cc1 ZINC000832274106 616019153 /nfs/dbraw/zinc/01/91/53/616019153.db2.gz SKOGLWSKDRBFRM-AWEZNQCLSA-N 2 0 278.400 0.998 20 10 CCCDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000852790788 616019847 /nfs/dbraw/zinc/01/98/47/616019847.db2.gz BLIFVAQPAUNQIO-YRGRVCCFSA-N 2 0 276.384 0.606 20 10 CCCDRP CO[C@@H](C[NH3+])CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832273470 617164707 /nfs/dbraw/zinc/16/47/07/617164707.db2.gz OEEFGIZLDCDRJT-ZIAGYGMSSA-N 2 0 294.399 0.232 20 10 CCCDRP CCC1([NH3+])CN(Cc2cc3c(cc2O)OCC[NH2+]C3)C1 ZINC001236185964 806546297 /nfs/dbraw/zinc/54/62/97/806546297.db2.gz DUVWYKZMAVMMOP-UHFFFAOYSA-N 2 0 277.368 0.797 20 10 CCCDRP C[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832265929 799756713 /nfs/dbraw/zinc/75/67/13/799756713.db2.gz BXJYNYBWYUMKHQ-BXKDBHETSA-N 2 0 250.346 0.216 20 10 CCCDRP c1cc(N2CC[NH2+]CC2)ccc1OCCO[C@H]1CC[NH2+]C1 ZINC001218393359 803953307 /nfs/dbraw/zinc/95/33/07/803953307.db2.gz LFZNAPVBVMGPRZ-INIZCTEOSA-N 2 0 291.395 0.854 20 10 CCCDRP Nc1ccc(CC[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246466940 807258155 /nfs/dbraw/zinc/25/81/55/807258155.db2.gz QWQXXDZQTFXUFV-AWEZNQCLSA-N 2 0 260.385 0.495 20 10 CCCDRP Oc1cccc2c1C[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)CC2 ZINC001246866779 807415045 /nfs/dbraw/zinc/41/50/45/807415045.db2.gz DOFFRKXNPTUAEH-ZDUSSCGKSA-N 2 0 273.380 0.844 20 10 CCCDRP CN(C)c1ccc([C@@H](CNC(=O)CC[NH3+])[NH+](C)C)cc1 ZINC001341622419 922587522 /nfs/dbraw/zinc/58/75/22/922587522.db2.gz LJUHKHZHYOCVLD-CQSZACIVSA-N 2 0 278.400 0.820 20 10 CCCDRP CC[C@H]([NH3+])C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001353147989 925741927 /nfs/dbraw/zinc/74/19/27/925741927.db2.gz VVOYVZVSZIQTHN-HNNXBMFYSA-N 2 0 290.411 0.792 20 10 CCCDRP